0NS

2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide

Created:2012-03-26
Last modified:  2012-03-26

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count43
Aromatic Bond Count12
2D diagram of 0NS

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Chemical Component Summary

Name2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)2-methoxy-N-(3-methyl-2-oxidanylidene-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
FormulaC16 H17 N3 O4 S
Molecular Weight347.389
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccccc1OC)Nc2ccc3NC(=O)N(Cc3c2)C
SMILESCACTVS3.370COc1ccccc1[S](=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2
SMILESOpenEye OEToolkits1.7.6CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC
Canonical SMILESCACTVS3.370 COc1ccccc1[S](=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2
Canonical SMILESOpenEye OEToolkits1.7.6 CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC
InChIInChI1.03 InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyInChI1.03 TXZPMHLMPKIUGK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2179387
PubChem 71271629
ChEMBL CHEMBL2179387
ChEBI CHEBI:95079