[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-16(19(24)22-21(2,3)4)28-20(25)18-10-13-23(14-11-18)29(26,27)15-12-17-8-6-5-7-9-17/h5-9,12,15-16,18H,10-11,13-14H2,1-4H3,(H,22,24)/b15-12+/t16-/m1/s1