[(E)-3-phenylprop-2-enyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [(E)-cinnamyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [(E)-cinnamyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC=CC3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C23H27NO4S/c1-18-15-19(2)17-24(16-18)29(26,27)22-12-10-21(11-13-22)23(25)28-14-6-9-20-7-4-3-5-8-20/h3-13,18-19H,14-17H2,1-2H3/b9-6+