N-(1-methylsulfonylpiperidin-4-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(1-mesyl-4-piperidyl)-3-propyl-phthalazine-1-carboxamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-3-10-22-18(24)15-7-5-4-6-14(15)16(20-22)17(23)19-13-8-11-21(12-9-13)27(2,25)26/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)