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

Systemtic Name: 4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-N-(phenylmethyl)phthalazin-1-amine Openeye Name: N-benzyl-4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-amine CAS Name: 4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-N-(phenylmethyl)-1-phthalazinamine IUPAC Name: N-benzyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: benzyl-[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]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)NCC4=CC=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H28N4O2S/c1-20-14-15-22(18-25(20)34(32,33)31-16-8-3-9-17-31)26-23-12-6-7-13-24(23)27(30-29-26)28-19-21-10-4-2-5-11-21/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,28,30)