1-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]azepan-2-one

Systemtic Name: 1-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]azepan-2-one Openeye Name: 1-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]azepan-2-one CAS Name: 1-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-2-azepanone IUPAC Name: 1-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]azepan-2-one Traditional Name: 1-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]azepan-2-one Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H23N3O4S2/c20-14-5-2-1-3-7-18(14)13-15(21)17-8-10-19(11-9-17)25(22,23)16-6-4-12-24-16/h4,6,12H,1-3,5,7-11,13H2