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

Systemtic Name: 2-methyl-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-one Openeye Name: 2-methyl-4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one Traditional Name: 2-methyl-4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-one Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-15-10-11-16(14-19(15)28(26,27)24-12-6-3-7-13-24)20-17-8-4-5-9-18(17)21(25)23(2)22-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3