[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)N(C)CCC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)N(C)CCC#N

InChI

InChI=1S/C20H25N3O6S/c1-15(24)16-7-9-17(10-8-16)30(27,28)23-13-4-3-6-18(23)20(26)29-14-19(25)22(2)12-5-11-21/h7-10,18H,3-6,12-14H2,1-2H3