3-[(4-cyanophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide

Systemtic Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 3-[(4-cyanophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20N4O4S2/c20-14-15-8-10-17(11-9-15)28(24,25)22-16-5-4-6-18(13-16)29(26,27)23-19-7-2-1-3-12-21-19/h4-6,8-11,13,22H,1-3,7,12H2,(H,21,23)