3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(3-fluorophenyl)sulfonylpiperazino]methanone Formula: C20H21FN2O5S MolecularWeight: 420.454543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F)OC1

InChI

InChI=1S/C20H21FN2O5S/c21-16-3-1-4-17(14-16)29(25,26)23-9-7-22(8-10-23)20(24)15-5-6-18-19(13-15)28-12-2-11-27-18/h1,3-6,13-14H,2,7-12H2