3-[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-(3,5-dimethylpiperidino)sulfonylanilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C

InChI

InChI=1S/C24H26N4O6S/c1-15-11-16(2)13-27(12-15)35(33,34)18-9-7-17(8-10-18)25-21(29)14-28-23(30)20-6-4-3-5-19(20)22(26-28)24(31)32/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)(H,31,32)