1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-(3-fluorophenyl)-2-propen-1-one IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-(3-fluorophenyl)prop-2-en-1-one Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C=CC4=CC(=CC=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C=CC4=CC(=CC=C4)F)OC1

InChI

InChI=1S/C22H23FN2O5S/c23-18-4-1-3-17(15-18)5-8-22(26)24-9-11-25(12-10-24)31(27,28)19-6-7-20-21(16-19)30-14-2-13-29-20/h1,3-8,15-16H,2,9-14H2