3-methyl-4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]amino]benzoic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C)C

InChI

InChI=1S/C24H30N2O5S/c1-14-12-15(2)18(5)22(17(14)4)32(30,31)26-10-8-19(9-11-26)23(27)25-21-7-6-20(24(28)29)13-16(21)3/h6-7,12-13,19H,8-11H2,1-5H3,(H,25,27)(H,28,29)