[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-14-7-8-18(17(21)11-14)22-19(24)13-28-20(25)15-5-4-6-16(12-15)29(26,27)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,24)