5-methoxy-1-(4-methylphenyl)sulfonyl-2-[(5-nitro-2-oxidanyl-phenyl)methyl]indazol-3-one

Systemtic Name: 5-methoxy-1-(4-methylphenyl)sulfonyl-2-[(5-nitro-2-oxidanyl-phenyl)methyl]indazol-3-one Openeye Name: 2-[(2-hydroxy-5-nitro-phenyl)methyl]-5-methoxy-1-(p-tolylsulfonyl)indazol-3-one CAS Name: 2-[(2-hydroxy-5-nitrophenyl)methyl]-5-methoxy-1-(4-methylphenyl)sulfonyl-3-indazolone IUPAC Name: 2-[(2-hydroxy-5-nitrophenyl)methyl]-5-methoxy-1-(4-methylphenyl)sulfonylindazol-3-one Traditional Name: 2-(2-hydroxy-5-nitro-benzyl)-5-methoxy-1-tosyl-indazolin-3-one Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C(=O)N2CC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C(=O)N2CC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H19N3O7S/c1-14-3-7-18(8-4-14)33(30,31)24-20-9-6-17(32-2)12-19(20)22(27)23(24)13-15-11-16(25(28)29)5-10-21(15)26/h3-12,26H,13H2,1-2H3