2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-3-(trifluoromethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-3-(trifluoromethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)benzoic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-3-(trifluoromethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)benzoic acid Traditional Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)benzoic acid Formula: C22H18F3NO5S MolecularWeight: 465.44223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2C(F)(F)F)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2C(F)(F)F)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H18F3NO5S/c1-31-15-7-9-16(10-8-15)32(29,30)20-14(11-13-5-3-2-4-6-13)12-17(21(27)28)19(26)18(20)22(23,24)25/h2-10,12H,11,26H2,1H3,(H,27,28)