3-methyl-4-[[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(4-isopropylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[oxo-[1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[(1-p-cumenylsulfonylisonipecotoyl)amino]benzoic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-15(2)17-4-7-20(8-5-17)31(29,30)25-12-10-18(11-13-25)22(26)24-21-9-6-19(23(27)28)14-16(21)3/h4-9,14-15,18H,10-13H2,1-3H3,(H,24,26)(H,27,28)