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

Systemtic Name: N-(4-methoxyphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(4-methoxyphenyl)-4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-amine CAS Name: N-(4-methoxyphenyl)-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(4-methoxyphenyl)-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: (4-methoxyphenyl)-[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C27H28N4O3S MolecularWeight: 488.60122

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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=C(C=C4)OC)S(=O)(=O)N5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3S/c1-19-10-11-20(18-25(19)35(32,33)31-16-6-3-7-17-31)26-23-8-4-5-9-24(23)27(30-29-26)28-21-12-14-22(34-2)15-13-21/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,28,30)