4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzenesulfonamide CAS Name: 4-[[4-(4-methoxy-3-nitrophenyl)-1-phthalazinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(4-methoxy-3-nitrophenyl)phthalazin-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzenesulfonamide Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5S/c1-31-19-11-6-13(12-18(19)26(27)28)20-16-4-2-3-5-17(16)21(25-24-20)23-14-7-9-15(10-8-14)32(22,29)30/h2-12H,1H3,(H,23,25)(H2,22,29,30)