5-(4-acetamidophenyl)-2-[(3-aminophenyl)carbonylamino]benzenesulfonic acid

Systemtic Name: 5-(4-acetamidophenyl)-2-[(3-aminophenyl)carbonylamino]benzenesulfonic acid Openeye Name: 5-(4-acetamidophenyl)-2-[(3-aminobenzoyl)amino]benzenesulfonic acid CAS Name: 5-(4-acetamidophenyl)-2-[[(3-aminophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 5-(4-acetamidophenyl)-2-[(3-aminobenzoyl)amino]benzenesulfonic acid Traditional Name: 5-(4-acetamidophenyl)-2-[(3-aminobenzoyl)amino]besylic acid Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)N)S(=O)(=O)O

InChI

InChI=1S/C21H19N3O5S/c1-13(25)23-18-8-5-14(6-9-18)15-7-10-19(20(12-15)30(27,28)29)24-21(26)16-3-2-4-17(22)11-16/h2-12H,22H2,1H3,(H,23,25)(H,24,26)(H,27,28,29)