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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-3-12-21-19(23)16(2)27-20(24)18-9-13-22(14-10-18)28(25,26)15-11-17-7-5-4-6-8-17/h3-8,11,15-16,18H,1,9-10,12-14H2,2H3,(H,21,23)/b15-11+/t16-/m1/s1