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

Systemtic Name: 4-[[3-azanyl-4-[(4-sulfophenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 4-[[3-amino-4-[(4-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid CAS Name: 4-[[[3-amino-4-[oxo-(4-sulfoanilino)methyl]phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[[3-amino-4-[(4-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid Traditional Name: 4-[[3-amino-4-[(4-sulfophenyl)carbamoyl]benzoyl]amino]besylic acid Formula: C20H17N3O8S2 MolecularWeight: 491.49428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C20H17N3O8S2/c21-18-11-12(19(24)22-13-2-6-15(7-3-13)32(26,27)28)1-10-17(18)20(25)23-14-4-8-16(9-5-14)33(29,30)31/h1-11H,21H2,(H,22,24)(H,23,25)(H,26,27,28)(H,29,30,31)