N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-(4-methylpiperidino)sulfonylphenyl]phthalazine-1-carboxamide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

InChI

InChI=1S/C26H32N4O4S/c1-3-4-7-16-30-26(32)23-9-6-5-8-22(23)24(28-30)25(31)27-20-10-12-21(13-11-20)35(33,34)29-17-14-19(2)15-18-29/h5-6,8-13,19H,3-4,7,14-18H2,1-2H3,(H,27,31)