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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)OC1

InChI

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