4-[[3-azanyloxycarbonyl-4,5-dimethyl-6-[(4-sulfophenyl)amino]pyridin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[3-azanyloxycarbonyl-4,5-dimethyl-6-[(4-sulfophenyl)amino]pyridin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[3-aminooxycarbonyl-4,5-dimethyl-6-(4-sulfoanilino)-2-pyridyl]amino]benzenesulfonic acid CAS Name: 4-[[3-[aminooxy(oxo)methyl]-4,5-dimethyl-6-(4-sulfoanilino)-2-pyridinyl]amino]benzenesulfonic acid IUPAC Name: 4-[[3-aminooxycarbonyl-4,5-dimethyl-6-(4-sulfoanilino)pyridin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[3-aminooxycarbonyl-4,5-dimethyl-6-(4-sulfoanilino)-2-pyridyl]amino]besylic acid Formula: C20H20N4O8S2 MolecularWeight: 508.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C)NC2=CC=C(C=C2)S(=O)(=O)O)NC3=CC=C(C=C3)S(=O)(=O)O)C(=O)ON

Isomeric SMILES

CC1=C(C(=NC(=C1C)NC2=CC=C(C=C2)S(=O)(=O)O)NC3=CC=C(C=C3)S(=O)(=O)O)C(=O)ON

InChI

InChI=1S/C20H20N4O8S2/c1-11-12(2)18(22-13-3-7-15(8-4-13)33(26,27)28)24-19(17(11)20(25)32-21)23-14-5-9-16(10-6-14)34(29,30)31/h3-10H,21H2,1-2H3,(H2,22,23,24)(H,26,27,28)(H,29,30,31)