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

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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