5-[[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[1-(2,4-dimethylphenyl)sulfonylisonipecotoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O)C

InChI

InChI=1S/C23H28N2O6S/c1-15-4-7-21(16(2)12-15)32(29,30)25-10-8-18(9-11-25)22(26)24-14-17-5-6-20(31-3)19(13-17)23(27)28/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)(H,27,28)