N-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[2-[(3-cyano-6-methyl-2-quinolin-1-iumyl)amino]ethyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[2-[(3-cyano-6-methylquinolin-1-ium-2-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]benzenesulfonamide Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNS(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNS(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H20N4O3S/c1-14-3-8-20-17(11-14)12-18(13-22)21(25-20)23-9-10-24-29(27,28)19-6-4-16(5-7-19)15(2)26/h3-8,11-12,24H,9-10H2,1-2H3,(H,23,25)/p+1