(2,5-dimethylphenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid (2,5-dimethylbenzyl) ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H27NO4S/c1-18-8-9-19(2)22(16-18)17-28-23(25)21-10-13-24(14-11-21)29(26,27)15-12-20-6-4-3-5-7-20/h3-9,12,15-16,21H,10-11,13-14,17H2,1-2H3/b15-12+