N-[3-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]methanesulfonamide CAS Name: N-[3-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]phenyl]methanesulfonamide Formula: C24H20ClN5O2S MolecularWeight: 477.9659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])C4=CC(=CC=C4)NS(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])C4=CC(=CC=C4)NS(=O)(=O)C)Cl

InChI

InChI=1S/C24H20ClN5O2S/c1-15-7-8-16(11-22(15)25)14-27-24-21-13-18(26-2)9-10-20(21)23(28-29-24)17-5-4-6-19(12-17)30-33(3,31)32/h4-13,30H,14H2,1,3H3,(H,27,29)