methyl 4-[[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(2R)-1-(p-tolylsulfonyl)piperidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[(2R)-1-(4-methylphenyl)sulfonyl-2-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2R)-1-tosylpipecoloyl]amino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-15-6-12-18(13-7-15)29(26,27)23-14-4-3-5-19(23)20(24)22-17-10-8-16(9-11-17)21(25)28-2/h6-13,19H,3-5,14H2,1-2H3,(H,22,24)/t19-/m1/s1