(2,3,6-trimethylphenyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4S/c1-17-9-10-18(2)22(19(17)3)28-23(25)21-11-14-24(15-12-21)29(26,27)16-13-20-7-5-4-6-8-20/h4-10,13,16,21H,11-12,14-15H2,1-3H3/b16-13+