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

Systemtic Name: 2-pyridin-4-ylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(4-pyridylsulfanyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(pyridin-4-ylthio)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-pyridin-4-ylsulfanyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(4-pyridylthio)-N-[4-(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=C(C=C2)NC(=O)CSC3=CC=NC=C3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C19H22N4O3S2/c24-19(14-27-16-9-12-20-13-10-16)22-15-5-7-17(8-6-15)28(25,26)23-18-4-2-1-3-11-21-18/h5-10,12-13H,1-4,11,14H2,(H,21,23)(H,22,24)