3-(2,2-dicyanoethenylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide

Systemtic Name: 3-(2,2-dicyanoethenylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Openeye Name: 3-(2,2-dicyanovinylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide CAS Name: 3-(2,2-dicyanoethenylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide IUPAC Name: 3-(2,2-dicyanoethenylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Traditional Name: 3-(2,2-dicyanovinylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Formula: C16H18N5O2S+ MolecularWeight: 344.41142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c17-10-13(11-18)12-20-14-5-4-6-15(9-14)24(22,23)21-16-7-2-1-3-8-19-16/h4-6,9,12,20H,1-3,7-8H2,(H,19,21)/p+1