(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C20H22N2O5S2/c23-19(7-5-16-4-6-17-18(15-16)27-13-2-12-26-17)21-8-10-22(11-9-21)29(24,25)20-3-1-14-28-20/h1,3-7,14-15H,2,8-13H2/b7-5+