5-[[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[1-(4-fluorophenyl)sulfonylnipecotoyl]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)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H23FN2O6S/c1-30-19-9-4-14(11-18(19)21(26)27)12-23-20(25)15-3-2-10-24(13-15)31(28,29)17-7-5-16(22)6-8-17/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,23,25)(H,26,27)