1-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one

Systemtic Name: 1-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-propyl]cinnolin-4-one CAS Name: 1-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-keto-propyl]cinnolin-4-one Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C22H23FN4O4S/c23-17-6-8-18(9-7-17)32(30,31)26-12-3-11-25(14-15-26)22(29)10-13-27-20-5-2-1-4-19(20)21(28)16-24-27/h1-2,4-9,16H,3,10-15H2