5-chloranyl-1,3-dimethyl-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]pyrazole-4-sulfonamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]pyrazole-4-sulfonamide Openeye Name: 5-chloro-1,3-dimethyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]pyrazole-4-sulfonamide CAS Name: 5-chloro-1,3-dimethyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-pyrazolesulfonamide IUPAC Name: 5-chloro-1,3-dimethyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]pyrazole-4-sulfonamide Traditional Name: 5-chloro-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C16H19ClN6O3S MolecularWeight: 410.87846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)Cl)C

InChI

InChI=1S/C16H19ClN6O3S/c1-10-13(14(17)23(2)22-10)27(25,26)19-9-5-8-18-15-11-6-3-4-7-12(11)16(24)21-20-15/h3-4,6-7,19H,5,8-9H2,1-2H3,(H,18,20)(H,21,24)