3-methyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(2-methyl-5-piperidinosulfonyl-phenyl)phthalazine-1-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H24N4O4S/c1-15-10-11-16(31(29,30)26-12-6-3-7-13-26)14-19(15)23-21(27)20-17-8-4-5-9-18(17)22(28)25(2)24-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,27)