N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCCC4C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCCC4C)C

InChI

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