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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-piperidin-1-ylphthalazin-1-yl)benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(1-piperidyl)phthalazin-1-yl]benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(1-piperidinyl)-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-piperidin-1-ylphthalazin-1-yl)benzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-piperidinophthalazin-1-yl)benzenesulfonamide Formula: C28H28N6O2S MolecularWeight: 512.62592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H28N6O2S/c1-19-13-14-20(17-25(19)37(35,36)29-18-26-30-23-11-5-6-12-24(23)31-26)27-21-9-3-4-10-22(21)28(33-32-27)34-15-7-2-8-16-34/h3-6,9-14,17,29H,2,7-8,15-16,18H2,1H3,(H,30,31)