N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[1-(p-tolylsulfonyl)-4-piperidyl]phthalazine-1-carboxamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-(1-tosyl-4-piperidyl)phthalazine-1-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N4O4S/c1-3-14-28-24(30)21-7-5-4-6-20(21)22(26-28)23(29)25-18-12-15-27(16-13-18)33(31,32)19-10-8-17(2)9-11-19/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)