3-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid Formula: C21H18FNO7S2 MolecularWeight: 479.498523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO7S2/c1-14-3-4-15(21(24)25)13-20(14)32(28,29)30-18-9-7-17(8-10-18)23(2)31(26,27)19-11-5-16(22)6-12-19/h3-13H,1-2H3,(H,24,25)