4-methoxy-2-nitro-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide

Systemtic Name: 4-methoxy-2-nitro-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide Openeye Name: 4-methoxy-2-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide CAS Name: 4-methoxy-2-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide IUPAC Name: 4-methoxy-2-nitro-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-4-methoxy-2-nitro-benzenesulfonamide Formula: C18H19N5O6S MolecularWeight: 433.43836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O6S/c1-29-12-7-8-16(15(11-12)23(25)26)30(27,28)20-10-4-9-19-17-13-5-2-3-6-14(13)18(24)22-21-17/h2-3,5-8,11,20H,4,9-10H2,1H3,(H,19,21)(H,22,24)