N-(2,5-dimethylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(2,5-dimethylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(2,5-dimethylphenyl)-4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-amine CAS Name: N-(2,5-dimethylphenyl)-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(2,5-dimethylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: (2,5-dimethylphenyl)-[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C28H30N4O2S/c1-19-11-12-20(2)25(17-19)29-28-24-10-6-5-9-23(24)27(30-31-28)22-14-13-21(3)26(18-22)35(33,34)32-15-7-4-8-16-32/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3,(H,29,31)