[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O5S/c1-16(2)14-21-19(23)15-27-20(24)18-8-11-22(12-9-18)28(25,26)13-10-17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,14-15H2,1-2H3,(H,21,23)/b13-10+