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

Systemtic Name: 4-[(3-azanyl-4-chloranyl-phenyl)carbonylamino]benzenesulfonic acid Openeye Name: 4-[(3-amino-4-chloro-benzoyl)amino]benzenesulfonic acid CAS Name: 4-[[(3-amino-4-chlorophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(3-amino-4-chlorobenzoyl)amino]benzenesulfonic acid Traditional Name: 4-[(3-amino-4-chloro-benzoyl)amino]besylic acid Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4S/c14-11-6-1-8(7-12(11)15)13(17)16-9-2-4-10(5-3-9)21(18,19)20/h1-7H,15H2,(H,16,17)(H,18,19,20)