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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c24-19(22-12-4-8-17-6-2-1-3-7-17)16-28-21(25)18-10-13-23(14-11-18)30(26,27)20-9-5-15-29-20/h1-3,5-7,9,15,18H,4,8,10-14,16H2,(H,22,24)