4-[[4-[(4-methylsulfonylphenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[[4-[(4-methylsulfonylphenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 4-[[4-[(4-methylsulfonylphenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid CAS Name: 4-[[[4-[(4-methylsulfonylanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-[(4-methylsulfonylphenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid Traditional Name: 4-[[4-[(4-mesylphenyl)carbamoyl]benzoyl]amino]besylic acid Formula: C21H18N2O7S2 MolecularWeight: 474.50682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C21H18N2O7S2/c1-31(26,27)18-10-6-16(7-11-18)22-20(24)14-2-4-15(5-3-14)21(25)23-17-8-12-19(13-9-17)32(28,29)30/h2-13H,1H3,(H,22,24)(H,23,25)(H,28,29,30)