[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C19H19BrN2O6S MolecularWeight: 483.33296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C19H19BrN2O6S/c20-15-5-1-2-6-16(15)21-18(24)12-28-19(25)14-11-13(7-8-17(14)23)29(26,27)22-9-3-4-10-22/h1-2,5-8,11,23H,3-4,9-10,12H2,(H,21,24)