methyl 3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[[4-(2,4-dimethylbenzoyl)-1-piperidyl]sulfonyl]-4-methyl-benzoate CAS Name: 3-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 3-[4-(2,4-dimethylbenzoyl)piperidino]sulfonyl-4-methyl-benzoic acid methyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C)C

InChI

InChI=1S/C23H27NO5S/c1-15-5-8-20(17(3)13-15)22(25)18-9-11-24(12-10-18)30(27,28)21-14-19(23(26)29-4)7-6-16(21)2/h5-8,13-14,18H,9-12H2,1-4H3