ethyl 2-cyano-5-[(4-methylphenyl)sulfonylamino]-3,4-diphenyl-5-pyridin-1-ium-1-yl-penta-2,4-dienoate

Systemtic Name: ethyl 2-cyano-5-[(4-methylphenyl)sulfonylamino]-3,4-diphenyl-5-pyridin-1-ium-1-yl-penta-2,4-dienoate Openeye Name: ethyl 2-cyano-3,4-diphenyl-5-(p-tolylsulfonylamino)-5-pyridin-1-ium-1-yl-penta-2,4-dienoate CAS Name: 2-cyano-5-[(4-methylphenyl)sulfonylamino]-3,4-diphenyl-5-(1-pyridin-1-iumyl)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-[(4-methylphenyl)sulfonylamino]-3,4-diphenyl-5-pyridin-1-ium-1-ylpenta-2,4-dienoate Traditional Name: 2-cyano-3,4-diphenyl-5-pyridin-1-ium-1-yl-5-(tosylamino)penta-2,4-dienoic acid ethyl ester Formula: C32H28N3O4S+ MolecularWeight: 550.64742

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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=CC=CC=C3)C4=CC=CC=C4)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=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C32H27N3O4S/c1-3-39-32(36)28(23-33)29(25-13-7-4-8-14-25)30(26-15-9-5-10-16-26)31(35-21-11-6-12-22-35)34-40(37,38)27-19-17-24(2)18-20-27/h4-22H,3H2,1-2H3/p+1