MTS

(4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where MTS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	33
Aromatic Bond Count	5

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Chemical Component Summary
Name	(4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
Systematic Name (OpenEye OEToolkits)	(4S,6S)-6-methyl-4-methylamino-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide
Formula	C₉ H₁₄ N₂ O₄ S₃
Molecular Weight	310.413
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1sc2c(c1)C(NC)CC(C)S2(=O)=O)N
SMILES	CACTVS	3.341	CN[CH]1C[CH](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC1CC(c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC
Canonical SMILES	CACTVS	3.341	CN[C@H]1C[C@H](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC
InChI	InChI	1.03	InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7-/m0/s1
InChIKey	InChI	1.03	PYXFWOIZPYXNRU-FSPLSTOPSA-N

Drug Info: DrugBank

DrugBank ID	DB04081
Name	(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide
Groups	experimental
Synonyms	(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Carbonic anhydrase 2	MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682