3-(4-fluorophenyl)-2-[[2-(3-methoxyphenyl)ethanoyldiazenyl]methyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 3-(4-fluorophenyl)-2-[[2-(3-methoxyphenyl)ethanoyldiazenyl]methyl]-4-methyl-benzenesulfonic acid Openeye Name: 3-(4-fluorophenyl)-2-[[2-(3-methoxyphenyl)acetyl]azomethyl]-4-methyl-benzenesulfonic acid CAS Name: 3-(4-fluorophenyl)-2-[[2-(3-methoxyphenyl)-1-oxoethyl]azomethyl]-4-methylbenzenesulfonic acid IUPAC Name: 3-(4-fluorophenyl)-2-[[[2-(3-methoxyphenyl)acetyl]diazenyl]methyl]-4-methylbenzenesulfonic acid Traditional Name: 3-(4-fluorophenyl)-2-[[2-(3-methoxyphenyl)acetyl]azomethyl]-4-methyl-besylic acid Formula: C23H21FN2O5S MolecularWeight: 456.486643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)CN=NC(=O)CC2=CC(=CC=C2)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)CN=NC(=O)CC2=CC(=CC=C2)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FN2O5S/c1-15-6-11-21(32(28,29)30)20(23(15)17-7-9-18(24)10-8-17)14-25-26-22(27)13-16-4-3-5-19(12-16)31-2/h3-12H,13-14H2,1-2H3,(H,28,29,30)