[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C19H18BrNO6S MolecularWeight: 468.31832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H18BrNO6S/c1-26-17-9-4-14(20)11-13(17)3-10-19(23)27-12-18(22)21-15-5-7-16(8-6-15)28(2,24)25/h3-11H,12H2,1-2H3,(H,21,22)/b10-3+