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

Systemtic Name: 4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-N-phenyl-phthalazin-1-amine Openeye Name: 4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-N-phenyl-phthalazin-1-amine CAS Name: 4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-N-phenyl-1-phthalazinamine IUPAC Name: 4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-N-phenylphthalazin-1-amine Traditional Name: [4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]-phenyl-amine Formula: C26H26N4O2S MolecularWeight: 458.57524

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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=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H26N4O2S/c1-19-14-15-20(18-24(19)33(31,32)30-16-8-3-9-17-30)25-22-12-6-7-13-23(22)26(29-28-25)27-21-10-4-2-5-11-21/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,27,29)