2-azanyl-4-(4-fluorophenyl)sulfonyl-3,5-dimethyl-6-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-fluorophenyl)sulfonyl-3,5-dimethyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-4-(4-fluorophenyl)sulfonyl-3,5-dimethyl-benzoic acid CAS Name: 2-amino-4-(4-fluorophenyl)sulfonyl-3,5-dimethyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-4-(4-fluorophenyl)sulfonyl-3,5-dimethylbenzoic acid Traditional Name: 2-amino-6-benzyl-4-(4-fluorophenyl)sulfonyl-3,5-dimethyl-benzoic acid Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)N)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)N)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO4S/c1-13-18(12-15-6-4-3-5-7-15)19(22(25)26)20(24)14(2)21(13)29(27,28)17-10-8-16(23)9-11-17/h3-11H,12,24H2,1-2H3,(H,25,26)