2-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(4-mesyl-1,4-diazepan-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C16H26N4O5S3 MolecularWeight: 450.59644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H26N4O5S3/c1-27(22,23)19-6-3-5-17(7-10-19)14-15(21)18-8-11-20(12-9-18)28(24,25)16-4-2-13-26-16/h2,4,13H,3,5-12,14H2,1H3