1-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]cinnolin-4-one Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C21H21FN4O4S/c22-16-6-8-17(9-7-16)31(29,30)25-11-3-10-24(12-13-25)21(28)15-26-19-5-2-1-4-18(19)20(27)14-23-26/h1-2,4-9,14H,3,10-13,15H2