methyl 3-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl-[(3S)-2-oxoazepan-3-yl]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl-[(3S)-2-oxo-3-azepanyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl-[(3S)-2-oxoazepan-3-yl]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[(3S)-2-ketoazepan-3-yl]-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C27H31N3O7S2 MolecularWeight: 573.68094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=C(SC=C3)C(=O)OC)OCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)S(=O)(=O)C3=C(SC=C3)C(=O)OC)OCCC4=CC=CC=N4

InChI

InChI=1S/C27H31N3O7S2/c1-35-23-17-19(9-10-22(23)37-15-11-20-7-3-5-13-28-20)18-30(21-8-4-6-14-29-26(21)31)39(33,34)24-12-16-38-25(24)27(32)36-2/h3,5,7,9-10,12-13,16-17,21H,4,6,8,11,14-15,18H2,1-2H3,(H,29,31)/t21-/m0/s1