N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(2-thienylsulfonyl)piperazino]acetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C19H23N3O5S2/c23-18(20-15-4-5-16-17(13-15)27-11-2-10-26-16)14-21-6-8-22(9-7-21)29(24,25)19-3-1-12-28-19/h1,3-5,12-13H,2,6-11,14H2,(H,20,23)