(3-methylphenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (3-methylphenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: m-tolyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid m-tolyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC(=C3)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H25NO4S/c1-15-6-4-8-19(11-15)26-21(23)18-7-5-9-20(12-18)27(24,25)22-13-16(2)10-17(3)14-22/h4-9,11-12,16-17H,10,13-14H2,1-3H3