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

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O6S2/c1-28-18-6-4-16(5-7-18)8-11-22-19(24)15-29-21(25)17-9-12-23(13-10-17)31(26,27)20-3-2-14-30-20/h2-7,14,17H,8-13,15H2,1H3,(H,22,24)