D76

(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE

Created:2003-11-10
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count1
Bond Count63
Aromatic Bond Count16
2D diagram of D76

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Chemical Component Summary

Name(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE
Synonyms1-[6-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL] CARBONYL-2-CARBAMOYL-4-(6-CHLORONAPHTH-2-YLSULPHONYL)PIPERAZINE
Systematic Name (OpenEye OEToolkits)(2R,4R)-4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[(5R)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl]piperazine-2-carboxamide
FormulaC23 H24 Cl N5 O4 S2
Molecular Weight534.051
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)N)N(C(=O)c3nc4c(s3)CN(CC4)C)CC5
SMILESCACTVS3.341CN1CCc2nc(sc2C1)C(=O)N3CCN(C[CH]3C(N)=O)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4
SMILESOpenEye OEToolkits1.5.0CN1CCc2c(sc(n2)C(=O)N3CCN(CC3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1
Canonical SMILESCACTVS3.341 CN1CCc2nc(sc2C1)C(=O)N3CCN(C[C@@H]3C(N)=O)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4
Canonical SMILESOpenEye OEToolkits1.5.0 C[N@@]1CCc2c(sc(n2)C(=O)N3CC[N@](C[C@@H]3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1
InChIInChI1.03 InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)/t19-/m1/s1
InChIKeyInChI1.03 OVHHNKPYYVQCLN-LJQANCHMSA-N

Related Resource References

Resource NameReference
PubChem 448997