5-[[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(4-fluoro-3-piperidinosulfonyl-benzoyl)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)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C21H23FN2O6S/c1-30-18-8-5-14(11-16(18)21(26)27)13-23-20(25)15-6-7-17(22)19(12-15)31(28,29)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25)(H,26,27)