2-phenylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]nicotinamide Formula: C24H24N4O3S2 MolecularWeight: 480.60236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3S2/c29-23(21-10-7-17-26-24(21)32-19-8-3-1-4-9-19)27-18-12-14-20(15-13-18)33(30,31)28-22-11-5-2-6-16-25-22/h1,3-4,7-10,12-15,17H,2,5-6,11,16H2,(H,25,28)(H,27,29)