3-methyl-4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[(1-tosylisonipecotoyl)amino]benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-14-3-6-18(7-4-14)29(27,28)23-11-9-16(10-12-23)20(24)22-19-8-5-17(21(25)26)13-15(19)2/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)(H,25,26)