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

Systemtic Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]-4H-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)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3C(=O)NC4=CC=CC=C4O3

InChI

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