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

Systemtic Name: 3-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]phthalazine-1-carboxylate Formula: C23H23N4O6S- MolecularWeight: 483.51692

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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)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O6S/c1-15-9-10-16(13-19(15)34(32,33)26-11-5-2-6-12-26)24-20(28)14-27-22(29)18-8-4-3-7-17(18)21(25-27)23(30)31/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)(H,30,31)/p-1