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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

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