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

Systemtic Name: 2-methylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]nicotinamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C19H22N4O3S2/c1-27-19-16(6-5-13-21-19)18(24)22-14-8-10-15(11-9-14)28(25,26)23-17-7-3-2-4-12-20-17/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,20,23)(H,22,24)