N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]-piperonylamide Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22FN3O6S/c22-16-3-5-17(6-4-16)32(28,29)25-9-1-8-24(10-11-25)20(26)13-23-21(27)15-2-7-18-19(12-15)31-14-30-18/h2-7,12H,1,8-11,13-14H2,(H,23,27)