methyl (2S,3R,5R)-5-ethenyl-1-(4-methylphenyl)sulfonyl-2-phenyl-piperidine-3-carboxylate

Systemtic Name: methyl (2S,3R,5R)-5-ethenyl-1-(4-methylphenyl)sulfonyl-2-phenyl-piperidine-3-carboxylate Openeye Name: methyl (2S,3R,5R)-2-phenyl-1-(p-tolylsulfonyl)-5-vinyl-piperidine-3-carboxylate CAS Name: (2S,3R,5R)-5-ethenyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R,5R)-5-ethenyl-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxylate Traditional Name: (2S,3R,5R)-2-phenyl-1-tosyl-5-vinyl-nipecotic acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC(C2C3=CC=CC=C3)C(=O)OC)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]([C@H]2C3=CC=CC=C3)C(=O)OC)C=C

InChI

InChI=1S/C22H25NO4S/c1-4-17-14-20(22(24)27-3)21(18-8-6-5-7-9-18)23(15-17)28(25,26)19-12-10-16(2)11-13-19/h4-13,17,20-21H,1,14-15H2,2-3H3/t17-,20+,21+/m0/s1