2-fluoranyl-5-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 2-fluoro-5-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 2-fluoro-5-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-fluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-fluoro-5-[(2-methyl-5-piperidinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C19H21FN2O6S2 MolecularWeight: 456.508243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H21FN2O6S2/c1-13-5-6-15(30(27,28)22-9-3-2-4-10-22)12-18(13)21-29(25,26)14-7-8-17(20)16(11-14)19(23)24/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)