2-azanyl-3-[3-(4-chloranylphenoxy)-2-methyl-phenoxy]sulfonyl-4-fluoranyl-5-(4-methoxyphenoxy)-6-methyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-3-[3-(4-chloranylphenoxy)-2-methyl-phenoxy]sulfonyl-4-fluoranyl-5-(4-methoxyphenoxy)-6-methyl-benzenesulfonic acid Openeye Name: 2-amino-3-[3-(4-chlorophenoxy)-2-methyl-phenoxy]sulfonyl-4-fluoro-5-(4-methoxyphenoxy)-6-methyl-benzenesulfonic acid CAS Name: 2-amino-3-[3-(4-chlorophenoxy)-2-methylphenoxy]sulfonyl-4-fluoro-5-(4-methoxyphenoxy)-6-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-[3-(4-chlorophenoxy)-2-methylphenoxy]sulfonyl-4-fluoro-5-(4-methoxyphenoxy)-6-methylbenzenesulfonic acid Traditional Name: 2-amino-3-[3-(4-chlorophenoxy)-2-methyl-phenoxy]sulfonyl-4-fluoro-5-(4-methoxyphenoxy)-6-methyl-besylic acid Formula: C27H23ClFNO9S2 MolecularWeight: 624.054223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OS(=O)(=O)C2=C(C(=C(C(=C2N)S(=O)(=O)O)C)OC3=CC=C(C=C3)OC)F)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1OS(=O)(=O)C2=C(C(=C(C(=C2N)S(=O)(=O)O)C)OC3=CC=C(C=C3)OC)F)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClFNO9S2/c1-15-21(37-19-9-7-17(28)8-10-19)5-4-6-22(15)39-41(34,35)27-23(29)25(16(2)26(24(27)30)40(31,32)33)38-20-13-11-18(36-3)12-14-20/h4-14H,30H2,1-3H3,(H,31,32,33)