[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C20H20ClNO6S MolecularWeight: 437.8939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO6S/c1-27-18-8-7-15(12-19(18)29(25,26)22-9-2-3-10-22)20(24)28-13-17(23)14-5-4-6-16(21)11-14/h4-8,11-12H,2-3,9-10,13H2,1H3