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

Systemtic Name: 3-methyl-4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-[(1-mesitylsulfonylisonipecotoyl)amino]-3-methyl-benzoic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C23H28N2O5S/c1-14-11-16(3)21(17(4)12-14)31(29,30)25-9-7-18(8-10-25)22(26)24-20-6-5-19(23(27)28)13-15(20)2/h5-6,11-13,18H,7-10H2,1-4H3,(H,24,26)(H,27,28)