4-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-[4-methyl-3-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[4-methyl-3-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-[4-methyl-3-(2-methylpiperidino)sulfonyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C

InChI

InChI=1S/C21H27N3O3S/c1-14-10-11-16(20-17-8-3-4-9-18(17)21(25)23-22-20)13-19(14)28(26,27)24-12-6-5-7-15(24)2/h10-11,13,15H,3-9,12H2,1-2H3,(H,23,25)