3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C24H24N4O6S MolecularWeight: 496.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

InChI

InChI=1S/C24H24N4O6S/c29-21(15-28-23(30)20-7-2-1-6-19(20)22(25-28)24(31)32)26-10-12-27(13-11-26)35(33,34)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14H,3-5,10-13,15H2,(H,31,32)