5-[4-(2-azanyl-4-methylsulfonyl-phenoxy)phenyl]sulfonyl-2-(4-methylphenoxy)benzenesulfonic acid

Systemtic Name: 5-[4-(2-azanyl-4-methylsulfonyl-phenoxy)phenyl]sulfonyl-2-(4-methylphenoxy)benzenesulfonic acid Openeye Name: 5-[4-(2-amino-4-methylsulfonyl-phenoxy)phenyl]sulfonyl-2-(4-methylphenoxy)benzenesulfonic acid CAS Name: 5-[4-(2-amino-4-methylsulfonylphenoxy)phenyl]sulfonyl-2-(4-methylphenoxy)benzenesulfonic acid IUPAC Name: 5-[4-(2-amino-4-methylsulfonylphenoxy)phenyl]sulfonyl-2-(4-methylphenoxy)benzenesulfonic acid Traditional Name: 5-[4-(2-amino-4-mesyl-phenoxy)phenyl]sulfonyl-2-(4-methylphenoxy)besylic acid Formula: C26H23NO9S3 MolecularWeight: 589.65712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)S(=O)(=O)C)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)S(=O)(=O)C)N)S(=O)(=O)O

InChI

InChI=1S/C26H23NO9S3/c1-17-3-5-18(6-4-17)36-25-14-12-22(16-26(25)39(32,33)34)38(30,31)20-9-7-19(8-10-20)35-24-13-11-21(15-23(24)27)37(2,28)29/h3-16H,27H2,1-2H3,(H,32,33,34)