(phenylmethyl) 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: benzyl 4-[methyl-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[methyl-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]amino]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-mesylphenyl)-3-pyridyl]methyl-methyl-amino]piperidine-1-carboxylic acid benzyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-29(24-14-16-30(17-15-24)27(31)34-20-21-6-4-3-5-7-21)19-22-8-13-26(28-18-22)23-9-11-25(12-10-23)35(2,32)33/h3-13,18,24H,14-17,19-20H2,1-2H3