[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)OCC

InChI

InChI=1S/C24H29NO7S/c1-4-6-15-31-21-13-7-18(16-22(21)30-5-2)8-14-24(27)32-17-23(26)25-19-9-11-20(12-10-19)33(3,28)29/h7-14,16H,4-6,15,17H2,1-3H3,(H,25,26)/b14-8+