[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)acrylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C23H24ClNO7S MolecularWeight: 493.95716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)OC

InChI

InChI=1S/C23H24ClNO7S/c1-30-21-14-16(13-19(24)23(21)31-2)5-10-22(27)32-15-20(26)17-6-8-18(9-7-17)33(28,29)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12,15H2,1-2H3/b10-5+