[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H22BrNO5S/c1-15-9-10-18(17(22)13-15)23-19(24)14-28-20(25)21(11-5-6-12-21)29(26,27)16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,23,24)