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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-(2-thienyl)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)S(=O)(=O)N3CCN(CC3)C(=O)C=CC4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C=CC4=CC=CS4)OC1

InChI

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