ethyl 2-cyano-5-isoquinolin-2-ium-2-yl-5-[(4-methylphenyl)sulfonylamino]-3,4-diphenyl-penta-2,4-dienoate

Systemtic Name: ethyl 2-cyano-5-isoquinolin-2-ium-2-yl-5-[(4-methylphenyl)sulfonylamino]-3,4-diphenyl-penta-2,4-dienoate Openeye Name: ethyl 2-cyano-5-isoquinolin-2-ium-2-yl-3,4-diphenyl-5-(p-tolylsulfonylamino)penta-2,4-dienoate CAS Name: 2-cyano-5-(2-isoquinolin-2-iumyl)-5-[(4-methylphenyl)sulfonylamino]-3,4-diphenylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-isoquinolin-2-ium-2-yl-5-[(4-methylphenyl)sulfonylamino]-3,4-diphenylpenta-2,4-dienoate Traditional Name: 2-cyano-5-isoquinolin-2-ium-2-yl-3,4-diphenyl-5-(tosylamino)penta-2,4-dienoic acid ethyl ester Formula: C36H30N3O4S+ MolecularWeight: 600.7061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=CC=C1)C(=C(NS(=O)(=O)C2=CC=C(C=C2)C)[N+]3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C(=C(C1=CC=CC=C1)C(=C(NS(=O)(=O)C2=CC=C(C=C2)C)[N+]3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C#N

InChI

InChI=1S/C36H29N3O4S/c1-3-43-36(40)32(24-37)33(28-13-6-4-7-14-28)34(29-15-8-5-9-16-29)35(38-44(41,42)31-20-18-26(2)19-21-31)39-23-22-27-12-10-11-17-30(27)25-39/h4-23,25H,3H2,1-2H3/p+1