[2-methyl-4-(4-methylphenyl)phenyl] 2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-methyl-4-(4-methylphenyl)phenyl] 2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-methyl-4-(p-tolyl)phenyl] 2-(1-piperidyl)-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-methyl-4-(4-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(4-methylphenyl)phenyl] 2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidino-5-piperidinosulfonyl-benzoic acid [2-methyl-4-(p-tolyl)phenyl] ester Formula: C31H36N2O4S MolecularWeight: 532.69354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCCC5)C

InChI

InChI=1S/C31H36N2O4S/c1-23-9-11-25(12-10-23)26-13-16-30(24(2)21-26)37-31(34)28-22-27(38(35,36)33-19-7-4-8-20-33)14-15-29(28)32-17-5-3-6-18-32/h9-16,21-22H,3-8,17-20H2,1-2H3