5-[(3,5-dimethylphenyl)methyl-(phenylmethyl)sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[(3,5-dimethylphenyl)methyl-(phenylmethyl)sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[benzyl-[(3,5-dimethylphenyl)methyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[(3,5-dimethylphenyl)methyl-(phenylmethyl)sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[benzyl-[(3,5-dimethylphenyl)methyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[benzyl-(3,5-dimethylbenzyl)sulfamoyl]-2-fluoro-benzoic acid Formula: C23H22FNO4S MolecularWeight: 427.488483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O)C

InChI

InChI=1S/C23H22FNO4S/c1-16-10-17(2)12-19(11-16)15-25(14-18-6-4-3-5-7-18)30(28,29)20-8-9-22(24)21(13-20)23(26)27/h3-13H,14-15H2,1-2H3,(H,26,27)