N-methyl-3-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]-N-methyl-phthalazine-1-carboxamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H27N5O5S/c1-16-10-11-17(14-20(16)35(33,34)28-12-6-3-7-13-28)26-21(30)15-29-24(32)19-9-5-4-8-18(19)22(27-29)23(31)25-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,25,31)(H,26,30)