[1-(3,5-dimethylphenyl)carbonyl-2-(phenylmethyl)piperidin-4-yl] methanesulfonate

Systemtic Name: [1-(3,5-dimethylphenyl)carbonyl-2-(phenylmethyl)piperidin-4-yl] methanesulfonate Openeye Name: [2-benzyl-1-(3,5-dimethylbenzoyl)-4-piperidyl] methanesulfonate CAS Name: methanesulfonic acid [1-[(3,5-dimethylphenyl)-oxomethyl]-2-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: [2-benzyl-1-(3,5-dimethylbenzoyl)piperidin-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzyl-1-(3,5-dimethylbenzoyl)-4-piperidyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)OS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCC(CC2CC3=CC=CC=C3)OS(=O)(=O)C)C

InChI

InChI=1S/C22H27NO4S/c1-16-11-17(2)13-19(12-16)22(24)23-10-9-21(27-28(3,25)26)15-20(23)14-18-7-5-4-6-8-18/h4-8,11-13,20-21H,9-10,14-15H2,1-3H3