3-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]-4-chloranyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]-4-chloranyl-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-3-[(3,5-dichloro-2-hydroxy-phenyl)methylamino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-3-[(3,5-dichloro-2-hydroxy-benzyl)amino]-5-sulfamoyl-benzoic acid Formula: C14H11Cl3N2O5S MolecularWeight: 425.67154

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1NCC2=CC(=CC(=C2O)Cl)Cl)Cl)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1NCC2=CC(=CC(=C2O)Cl)Cl)Cl)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C14H11Cl3N2O5S/c15-8-1-7(13(20)9(16)4-8)5-19-10-2-6(14(21)22)3-11(12(10)17)25(18,23)24/h1-4,19-20H,5H2,(H,21,22)(H2,18,23,24)