1-(azepan-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H25N3O3S2/c20-15(18-7-3-1-2-4-8-18)14-17-9-11-19(12-10-17)24(21,22)16-6-5-13-23-16/h5-6,13H,1-4,7-12,14H2