[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H26N2O5S2/c28-23(26-22-10-5-4-9-21(22)17-19-7-2-1-3-8-19)18-32-25(29)20-12-14-27(15-13-20)34(30,31)24-11-6-16-33-24/h1-11,16,20H,12-15,17-18H2,(H,26,28)