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

Systemtic Name: 5-[[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H23FN2O6S/c1-30-19-7-2-14(12-18(19)21(26)27)13-23-20(25)15-8-10-24(11-9-15)31(28,29)17-5-3-16(22)4-6-17/h2-7,12,15H,8-11,13H2,1H3,(H,23,25)(H,26,27)