3-methyl-4-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[(1-besylisonipecotoyl)amino]-3-methyl-benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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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=CC=C3

Isomeric SMILES

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

InChI

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