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

Systemtic Name: (3,4-dimethylphenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (3,4-dimethylphenyl) 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(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=C(C=C2)C(=O)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

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