2-azanyl-5-bromanyl-4-(4-fluorophenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-bromanyl-4-(4-fluorophenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-5-bromo-4-(4-fluorophenyl)sulfonyl-3-methyl-benzoic acid CAS Name: 2-amino-5-bromo-4-(4-fluorophenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-5-bromo-4-(4-fluorophenyl)sulfonyl-3-methylbenzoic acid Traditional Name: 2-amino-6-benzyl-5-bromo-4-(4-fluorophenyl)sulfonyl-3-methyl-benzoic acid Formula: C21H17BrFNO4S MolecularWeight: 478.331383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1S(=O)(=O)C2=CC=C(C=C2)F)Br)CC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1S(=O)(=O)C2=CC=C(C=C2)F)Br)CC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C21H17BrFNO4S/c1-12-19(24)17(21(25)26)16(11-13-5-3-2-4-6-13)18(22)20(12)29(27,28)15-9-7-14(23)8-10-15/h2-10H,11,24H2,1H3,(H,25,26)