[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O6S2/c1-22(14-18-4-3-13-30-18)20(24)15-29-21(25)16-9-11-23(12-10-16)31(26,27)19-7-5-17(28-2)6-8-19/h3-8,13,16H,9-12,14-15H2,1-2H3