[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O6S2/c1-11(19)17-9-13-3-4-15(25-13)14(20)10-24-16(21)12-5-7-18(8-6-12)26(2,22)23/h3-4,12H,5-10H2,1-2H3,(H,17,19)