3-[phenyl(sulfocarbamoyl)amino]benzenesulfonic acid

Systemtic Name: 3-[phenyl(sulfocarbamoyl)amino]benzenesulfonic acid Openeye Name: 3-[N-(sulfocarbamoyl)anilino]benzenesulfonic acid CAS Name: 3-(N-[oxo-(sulfoamino)methyl]anilino)benzenesulfonic acid IUPAC Name: 3-[N-(sulfocarbamoyl)anilino]benzenesulfonic acid Traditional Name: 3-[N-(sulfocarbamoyl)anilino]besylic acid Formula: C13H12N2O7S2 MolecularWeight: 372.37358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC(=CC=C2)S(=O)(=O)O)C(=O)NS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC(=CC=C2)S(=O)(=O)O)C(=O)NS(=O)(=O)O

InChI

InChI=1S/C13H12N2O7S2/c16-13(14-24(20,21)22)15(10-5-2-1-3-6-10)11-7-4-8-12(9-11)23(17,18)19/h1-9H,(H,14,16)(H,17,18,19)(H,20,21,22)