3-[2-azanyl-5-(bromomethyloxy)-6-chloranyl-3-sulfamoyl-phenyl]sulfonyloxy-2-(2-chloranylphenoxy)-6-phenoxy-benzenesulfonic acid

Systemtic Name: 3-[2-azanyl-5-(bromomethyloxy)-6-chloranyl-3-sulfamoyl-phenyl]sulfonyloxy-2-(2-chloranylphenoxy)-6-phenoxy-benzenesulfonic acid Openeye Name: 3-[2-amino-5-(bromomethoxy)-6-chloro-3-sulfamoyl-phenyl]sulfonyloxy-2-(2-chlorophenoxy)-6-phenoxy-benzenesulfonic acid CAS Name: 3-[2-amino-5-(bromomethoxy)-6-chloro-3-sulfamoylphenyl]sulfonyloxy-2-(2-chlorophenoxy)-6-phenoxybenzenesulfonic acid IUPAC Name: 3-[2-amino-5-(bromomethoxy)-6-chloro-3-sulfamoylphenyl]sulfonyloxy-2-(2-chlorophenoxy)-6-phenoxybenzenesulfonic acid Traditional Name: 3-[2-amino-5-(bromomethoxy)-6-chloro-3-sulfamoyl-phenyl]sulfonyloxy-2-(2-chlorophenoxy)-6-phenoxy-besylic acid Formula: C25H19BrCl2N2O11S3 MolecularWeight: 770.43016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C(=C(C=C2)OS(=O)(=O)C3=C(C(=CC(=C3N)S(=O)(=O)N)OCBr)Cl)OC4=CC=CC=C4Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C(=C(C=C2)OS(=O)(=O)C3=C(C(=CC(=C3N)S(=O)(=O)N)OCBr)Cl)OC4=CC=CC=C4Cl)S(=O)(=O)O

InChI

InChI=1S/C25H19BrCl2N2O11S3/c26-13-38-19-12-20(42(30,31)32)22(29)25(21(19)28)44(36,37)41-17-10-11-18(39-14-6-2-1-3-7-14)24(43(33,34)35)23(17)40-16-9-5-4-8-15(16)27/h1-12H,13,29H2,(H2,30,31,32)(H,33,34,35)