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

Systemtic Name: 5-chloranyl-2-methoxy-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide Openeye Name: 5-chloro-2-methoxy-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide CAS Name: 5-chloro-2-methoxy-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide IUPAC Name: 5-chloro-2-methoxy-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]benzenesulfonamide Traditional Name: 5-chloro-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-2-methoxy-benzenesulfonamide Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H19ClN4O4S/c1-27-15-8-7-12(19)11-16(15)28(25,26)21-10-4-9-20-17-13-5-2-3-6-14(13)18(24)23-22-17/h2-3,5-8,11,21H,4,9-10H2,1H3,(H,20,22)(H,23,24)