4-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-methyl-3-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-methyl-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-methyl-3-(4-methylpiperidino)sulfonyl-phenyl]-2H-phthalazin-1-one Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H23N3O3S/c1-14-9-11-24(12-10-14)28(26,27)19-13-16(8-7-15(19)2)20-17-5-3-4-6-18(17)21(25)23-22-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)