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

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)phthalazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-17(2)16-29-25(31)21-10-6-5-9-20(21)23(27-29)24(30)26-22-15-19(12-11-18(22)3)34(32,33)28-13-7-4-8-14-28/h5-6,9-12,15,17H,4,7-8,13-14,16H2,1-3H3,(H,26,30)