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

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)phthalazine-1-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-16(2)28-24(30)20-10-6-5-9-19(20)22(26-28)23(29)25-21-15-18(12-11-17(21)3)33(31,32)27-13-7-4-8-14-27/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3,(H,25,29)