3-cyano-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 3-cyano-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 3-cyano-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide CAS Name: 3-cyano-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 3-cyano-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 3-cyano-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N4O3S/c21-14-15-5-4-6-16(13-15)20(25)23-17-8-10-18(11-9-17)28(26,27)24-19-7-2-1-3-12-22-19/h4-6,8-11,13H,1-3,7,12H2,(H,22,24)(H,23,25)/p+1