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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-methyl-but-2-en-1-one Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C18H24N2O5S/c1-14(2)12-18(21)19-6-8-20(9-7-19)26(22,23)15-4-5-16-17(13-15)25-11-3-10-24-16/h4-5,12-13H,3,6-11H2,1-2H3