(3,4-dimethylphenyl) 3-(4-methylpiperidin-1-yl)sulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=C(C=C3)C)C

InChI

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