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

Systemtic Name: 4-methylsulfonyl-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide Openeye Name: 4-methylsulfonyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide CAS Name: 4-methylsulfonyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide IUPAC Name: 4-methylsulfonyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-4-mesyl-benzenesulfonamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H20N4O5S2/c1-28(24,25)13-7-9-14(10-8-13)29(26,27)20-12-4-11-19-17-15-5-2-3-6-16(15)18(23)22-21-17/h2-3,5-10,20H,4,11-12H2,1H3,(H,19,21)(H,22,23)