N-(4-methylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(4-methylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: 4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-N-(p-tolyl)phthalazin-1-amine CAS Name: N-(4-methylphenyl)-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(4-methylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: [4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]-(p-tolyl)amine Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2S/c1-19-10-14-22(15-11-19)28-27-24-9-5-4-8-23(24)26(29-30-27)21-13-12-20(2)25(18-21)34(32,33)31-16-6-3-7-17-31/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,28,30)