2-[[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-isoquinolin-7-yl]sulfonylamino]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 2-[[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-isoquinolin-7-yl]sulfonylamino]-N-oxidanyl-benzeneamine oxide Openeye Name: N-hydroxy-2-[[3-methyl-1-oxo-2-(p-tolylsulfonylamino)-7-isoquinolyl]sulfonylamino]benzeneamine oxide CAS Name: N-hydroxy-2-[[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxo-7-isoquinolinyl]sulfonylamino]benzeneamine oxide IUPAC Name: N-hydroxy-2-[[3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxoisoquinolin-7-yl]sulfonylamino]benzeneamine oxide Traditional Name: N-hydroxy-2-[[1-keto-3-methyl-2-(tosylamino)-7-isoquinolyl]sulfonylamino]benzeneamine oxide Formula: C23H22N4O7S2 MolecularWeight: 530.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4[NH+](O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4[NH+](O)[O-])C

InChI

InChI=1S/C23H22N4O7S2/c1-15-7-10-18(11-8-15)36(33,34)25-26-16(2)13-17-9-12-19(14-20(17)23(26)28)35(31,32)24-21-5-3-4-6-22(21)27(29)30/h3-14,24-25,27,29H,1-2H3