N-(2-methylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(2-methylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: 4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-N-(o-tolyl)phthalazin-1-amine CAS Name: N-(2-methylphenyl)-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(2-methylphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: [4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]-(o-tolyl)amine Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)S(=O)(=O)N5CCCCC5

InChI

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