[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C20H28N2O6S/c1-4-14(2)21-19(24)13-28-20(25)16-8-10-22(11-9-16)29(26,27)18-7-5-6-17(12-18)15(3)23/h5-7,12,14,16H,4,8-11,13H2,1-3H3,(H,21,24)/t14-/m0/s1