2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)butanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)butanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)butanamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-N-(4-fluorophenyl)butanamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)butanamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-N-(4-fluorophenyl)butyramide Formula: C23H28FN3O5S MolecularWeight: 477.548923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28FN3O5S/c1-2-20(23(28)25-18-6-4-17(24)5-7-18)26-10-12-27(13-11-26)33(29,30)19-8-9-21-22(16-19)32-15-3-14-31-21/h4-9,16,20H,2-3,10-15H2,1H3,(H,25,28)