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

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[[2-(2-bromoanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C17H22BrN3O6S MolecularWeight: 476.34208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C17H22BrN3O6S/c1-28(25,26)21-8-6-12(7-9-21)17(24)27-11-16(23)19-10-15(22)20-14-5-3-2-4-13(14)18/h2-5,12H,6-11H2,1H3,(H,19,23)(H,20,22)