[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H18ClNO5S/c20-16-5-3-4-15(12-16)18(22)13-26-19(23)14-6-8-17(9-7-14)27(24,25)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2