(3-methylphenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (3-methylphenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: m-tolylmethyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (3-methylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C

InChI

InChI=1S/C21H25NO4S/c1-16-10-12-22(13-11-16)27(24,25)20-8-6-19(7-9-20)21(23)26-15-18-5-3-4-17(2)14-18/h3-9,14,16H,10-13,15H2,1-2H3