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

Systemtic Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-4-methyl-benzenesulfonamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N4O3S/c1-3-28-18-6-9-20-16(13-18)12-17(14-22)21(25-20)23-10-11-24-29(26,27)19-7-4-15(2)5-8-19/h4-9,12-13,24H,3,10-11H2,1-2H3,(H,23,25)/p+1