[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[[(1S)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-[[(1S)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(C)CCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N[C@@H](C)CCCC(C)C

InChI

InChI=1S/C23H36N2O5S/c1-17(2)6-5-7-19(4)24-22(26)16-30-23(27)20-12-14-25(15-13-20)31(28,29)21-10-8-18(3)9-11-21/h8-11,17,19-20H,5-7,12-16H2,1-4H3,(H,24,26)/t19-/m0/s1