[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H28N2O6S2/c1-3-29-18-6-8-20(9-7-18)32(27,28)24-12-10-17(11-13-24)22(26)30-16(2)21(25)23-15-19-5-4-14-31-19/h4-9,14,16-17H,3,10-13,15H2,1-2H3,(H,23,25)