3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-nitrophenyl)-1-oxidanylidene-isoquinoline-7-sulfonamide

Systemtic Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-nitrophenyl)-1-oxidanylidene-isoquinoline-7-sulfonamide Openeye Name: 3-methyl-N-(2-nitrophenyl)-1-oxo-2-(p-tolylsulfonylamino)isoquinoline-7-sulfonamide CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-nitrophenyl)-1-oxo-7-isoquinolinesulfonamide IUPAC Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-nitrophenyl)-1-oxoisoquinoline-7-sulfonamide Traditional Name: 1-keto-3-methyl-N-(2-nitrophenyl)-2-(tosylamino)isoquinoline-7-sulfonamide Formula: C23H20N4O7S2 MolecularWeight: 528.5575

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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[N+](=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[N+](=O)[O-])C

InChI

InChI=1S/C23H20N4O7S2/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/h3-14,24-25H,1-2H3