[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)OCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(C(=O)OCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO5S/c21-16-10-4-5-11-17(16)22-18(23)14-27-19(24)20(12-6-7-13-20)28(25,26)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,22,23)