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

Systemtic Name: 4-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-keto-propyl]-1,4-benzoxazin-3-one Formula: C22H24FN3O5S MolecularWeight: 461.506463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H24FN3O5S/c23-17-6-8-18(9-7-17)32(29,30)25-12-3-11-24(14-15-25)21(27)10-13-26-19-4-1-2-5-20(19)31-16-22(26)28/h1-2,4-9H,3,10-16H2