[2-methyl-4-(4-methylphenyl)phenyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-methyl-4-(4-methylphenyl)phenyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-methyl-4-(p-tolyl)phenyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-methyl-4-(4-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(4-methylphenyl)phenyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-methyl-4-(p-tolyl)phenyl] ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4S/c1-19-9-11-21(12-10-19)22-13-14-25(20(2)17-22)31-26(28)23-7-6-8-24(18-23)32(29,30)27-15-4-3-5-16-27/h6-14,17-18H,3-5,15-16H2,1-2H3