N-(2-cyanoethyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C19H21N5O3S/c20-8-1-9-22-28(26,27)18-4-2-16(3-5-18)19(25)24-14-12-23(13-15-24)17-6-10-21-11-7-17/h2-7,10-11,22H,1,9,12-15H2/p+1