4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2H-phthalazin-1-one

Systemtic Name: 4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2H-phthalazin-1-one Openeye Name: 4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2H-phthalazin-1-one Traditional Name: 4-(4-methyl-3-piperidinosulfonyl-phenyl)-2H-phthalazin-1-one Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H21N3O3S/c1-14-9-10-15(13-18(14)27(25,26)23-11-5-2-6-12-23)19-16-7-3-4-8-17(16)20(24)22-21-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,24)