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

Systemtic Name: 3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-keto-propyl]-1,3-benzoxazol-2-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)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCN3C4=CC=CC=C4OC3=O

InChI

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