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

Systemtic Name: N-[3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]methanesulfonamide CAS Name: N-[3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]phenyl]methanesulfonamide Formula: C24H20ClN5O3S MolecularWeight: 493.9653

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C24H20ClN5O3S/c1-26-17-8-9-19-20(13-17)24(27-14-15-7-10-22(33-2)21(25)11-15)29-28-23(19)16-5-4-6-18(12-16)30-34(3,31)32/h4-13,30H,14H2,2-3H3,(H,27,29)