2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-[1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-N-(1-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-N-[1-(2-thienyl)ethyl]acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H27N3O5S2/c1-16(20-4-2-13-30-20)22-21(25)15-23-7-9-24(10-8-23)31(26,27)17-5-6-18-19(14-17)29-12-3-11-28-18/h2,4-6,13-14,16H,3,7-12,15H2,1H3,(H,22,25)