methyl 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-phenyl-piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-phenyl-piperidin-4-yl]ethanoate Openeye Name: methyl 2-[(2R,4R)-2-phenyl-1-(p-tolylsulfonyl)-4-piperidyl]acetate CAS Name: 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,4R)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidin-4-yl]acetate Traditional Name: 2-[(2R,4R)-2-phenyl-1-tosyl-4-piperidyl]acetic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C[C@@H]2C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-16-8-10-19(11-9-16)27(24,25)22-13-12-17(15-21(23)26-2)14-20(22)18-6-4-3-5-7-18/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m1/s1