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

Systemtic Name: 4-[[1-(3-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(3-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(3-acetylphenyl)sulfonylisonipecotoyl]amino]-3-methyl-benzoic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-14-12-18(22(27)28)6-7-20(14)23-21(26)16-8-10-24(11-9-16)31(29,30)19-5-3-4-17(13-19)15(2)25/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,26)(H,27,28)