3-[3-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[4-[(4-fluorophenyl)sulfonylamino]anilino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[4-[(4-fluorophenyl)sulfonylamino]anilino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[4-[(4-fluorophenyl)sulfonylamino]anilino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[4-[(4-fluorophenyl)sulfonylamino]anilino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C23H18FN4O5S- MolecularWeight: 481.476223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)[O-]

InChI

InChI=1S/C23H19FN4O5S/c24-15-5-11-18(12-6-15)34(32,33)27-17-9-7-16(8-10-17)25-21(29)13-14-28-23(31)20-4-2-1-3-19(20)22(30)26-28/h1-12,27H,13-14H2,(H,25,29)(H,26,30)/p-1