3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-1-(4-fluorobenzoyl)azepan-2-one Formula: C25H28FN3O6S MolecularWeight: 517.569723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C(=O)C(C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H28FN3O6S/c26-19-6-4-18(5-7-19)24(30)29-10-2-1-3-21(25(29)31)27-11-13-28(14-12-27)36(32,33)20-8-9-22-23(17-20)35-16-15-34-22/h4-9,17,21H,1-3,10-16H2