(3-methylphenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylphenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: m-tolylmethyl 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid (3-methylbenzyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-18-6-5-9-20(16-18)17-27-22(24)21-10-13-23(14-11-21)28(25,26)15-12-19-7-3-2-4-8-19/h2-9,12,15-16,21H,10-11,13-14,17H2,1H3/b15-12+