N-(1H-benzimidazol-2-ylmethyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amine 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)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)N6CCCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=NC5=CC=CC=C5N4)S(=O)(=O)N6CCCCC6

InChI

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