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

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H25NO5S2/c1-2-4-16-6-8-17(9-7-16)19(23)15-27-21(24)18-10-12-22(13-11-18)29(25,26)20-5-3-14-28-20/h3,5-9,14,18H,2,4,10-13,15H2,1H3