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

Systemtic Name: 3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-[(1-tosylisonipecotoyl)amino]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-14-5-7-18(8-6-14)28(26,27)22-11-9-15(10-12-22)19(23)21-17-4-2-3-16(13-17)20(24)25/h2-8,13,15H,9-12H2,1H3,(H,21,23)(H,24,25)