2-pyridin-2-ylsulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-pyridin-2-ylsulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(2-pyridylsulfanyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(2-pyridinylthio)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-pyridin-2-ylsulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(2-pyridylthio)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C19H22N4O3S2/c24-18(14-27-19-10-3-5-12-21-19)22-15-7-6-8-16(13-15)28(25,26)23-17-9-2-1-4-11-20-17/h3,5-8,10,12-13H,1-2,4,9,11,14H2,(H,20,23)(H,22,24)