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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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