4-[[3-azanyl-4-(4-chloranylphenoxy)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[[3-azanyl-4-(4-chloranylphenoxy)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 4-[[3-amino-4-(4-chlorophenoxy)benzoyl]amino]benzenesulfonic acid CAS Name: 4-[[[3-amino-4-(4-chlorophenoxy)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[[3-amino-4-(4-chlorophenoxy)benzoyl]amino]benzenesulfonic acid Traditional Name: 4-[[3-amino-4-(4-chlorophenoxy)benzoyl]amino]besylic acid Formula: C19H15ClN2O5S MolecularWeight: 418.8508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)N)S(=O)(=O)O

InChI

InChI=1S/C19H15ClN2O5S/c20-13-2-6-15(7-3-13)27-18-10-1-12(11-17(18)21)19(23)22-14-4-8-16(9-5-14)28(24,25)26/h1-11H,21H2,(H,22,23)(H,24,25,26)