4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C21H22FN3O5S/c22-16-6-8-17(9-7-16)31(28,29)24-11-3-10-23(12-13-24)20(26)14-25-18-4-1-2-5-19(18)30-15-21(25)27/h1-2,4-9H,3,10-15H2