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

Systemtic Name: 2-methyl-4-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-methyl-3-[(4-methyl-1-piperidyl)sulfonyl]phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-methyl-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-methyl-3-(4-methylpiperidino)sulfonyl-phenyl]phthalazin-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-15-10-12-25(13-11-15)29(27,28)20-14-17(9-8-16(20)2)21-18-6-4-5-7-19(18)22(26)24(3)23-21/h4-9,14-15H,10-13H2,1-3H3