[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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