methyl 3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(3-pyridylmethylsulfanyl)phenyl]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[4-(3-pyridinylmethylthio)phenyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(3-pyridylmethylthio)phenyl]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C18H16N2O4S3 MolecularWeight: 420.52564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C18H16N2O4S3/c1-24-18(21)17-16(8-10-25-17)27(22,23)20-14-4-6-15(7-5-14)26-12-13-3-2-9-19-11-13/h2-11,20H,12H2,1H3