4-fluoranyl-3-[(phenylmethyl)-propan-2-yl-sulfamoyl]benzoic acid

Systemtic Name: 4-fluoranyl-3-[(phenylmethyl)-propan-2-yl-sulfamoyl]benzoic acid Openeye Name: 3-[benzyl(isopropyl)sulfamoyl]-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-[(phenylmethyl)-propan-2-ylsulfamoyl]benzoic acid IUPAC Name: 3-[benzyl(propan-2-yl)sulfamoyl]-4-fluorobenzoic acid Traditional Name: 3-[benzyl(isopropyl)sulfamoyl]-4-fluoro-benzoic acid Formula: C17H18FNO4S MolecularWeight: 351.392523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C17H18FNO4S/c1-12(2)19(11-13-6-4-3-5-7-13)24(22,23)16-10-14(17(20)21)8-9-15(16)18/h3-10,12H,11H2,1-2H3,(H,20,21)