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

Systemtic Name: ethyl 2-cyano-5-[(4-methylphenyl)sulfonylamino]-5-(4-methylpyridin-1-ium-1-yl)-3,4-diphenyl-penta-2,4-dienoate Openeye Name: ethyl 2-cyano-5-(4-methylpyridin-1-ium-1-yl)-3,4-diphenyl-5-(p-tolylsulfonylamino)penta-2,4-dienoate CAS Name: 2-cyano-5-[(4-methylphenyl)sulfonylamino]-5-(4-methyl-1-pyridin-1-iumyl)-3,4-diphenylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-[(4-methylphenyl)sulfonylamino]-5-(4-methylpyridin-1-ium-1-yl)-3,4-diphenylpenta-2,4-dienoate Traditional Name: 2-cyano-5-(4-methylpyridin-1-ium-1-yl)-3,4-diphenyl-5-(tosylamino)penta-2,4-dienoic acid ethyl ester Formula: C33H30N3O4S+ MolecularWeight: 564.674

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

InChI

InChI=1S/C33H29N3O4S/c1-4-40-33(37)29(23-34)30(26-11-7-5-8-12-26)31(27-13-9-6-10-14-27)32(36-21-19-25(3)20-22-36)35-41(38,39)28-17-15-24(2)16-18-28/h5-22H,4H2,1-3H3/p+1