5-bromanyl-2-[(4-fluorophenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid

Systemtic Name: 5-bromanyl-2-[(4-fluorophenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 5-bromo-2-[(4-fluorophenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 5-bromo-2-[(4-fluorophenyl)sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 5-bromo-2-[(4-fluorophenyl)sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 5-bromo-2-[(4-fluorophenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid Formula: C15H13BrFNO4S MolecularWeight: 402.235423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrFNO4S/c1-9-7-10(16)8-13(15(19)20)14(9)18(2)23(21,22)12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H,19,20)