[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H19BrN2O5S2/c19-14-3-1-4-15(11-14)20-16(22)12-26-18(23)13-6-8-21(9-7-13)28(24,25)17-5-2-10-27-17/h1-5,10-11,13H,6-9,12H2,(H,20,22)