methyl 3-bromanyl-4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethoxy]benzoate CAS Name: 3-bromo-4-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethoxy]benzoic acid methyl ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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