[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H21BrN2O6S/c1-28-15-6-9-18(21)17(12-15)20(25)29-13-19(24)22-14-4-7-16(8-5-14)30(26,27)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24)