[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-3-7-17(2)22-20(24)16-28-21(25)19-10-13-23(14-11-19)29(26,27)15-12-18-8-5-4-6-9-18/h4-6,8-9,12,15,17,19H,3,7,10-11,13-14,16H2,1-2H3,(H,22,24)/b15-12+/t17-/m0/s1