N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-morpholin-4-ylphthalazin-1-yl)benzenesulfonamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-morpholin-4-ylphthalazin-1-yl)benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-morpholinophthalazin-1-yl)benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(4-morpholinyl)-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-morpholin-4-ylphthalazin-1-yl)benzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-morpholinophthalazin-1-yl)benzenesulfonamide Formula: C27H26N6O3S MolecularWeight: 514.59874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H26N6O3S/c1-18-10-11-19(16-24(18)37(34,35)28-17-25-29-22-8-4-5-9-23(22)30-25)26-20-6-2-3-7-21(20)27(32-31-26)33-12-14-36-15-13-33/h2-11,16,28H,12-15,17H2,1H3,(H,29,30)