[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C16H21BrN2O5S MolecularWeight: 433.31734

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN2O5S/c1-2-25(22,23)19-9-7-12(8-10-19)16(21)24-11-15(20)18-14-5-3-13(17)4-6-14/h3-6,12H,2,7-11H2,1H3,(H,18,20)