2-(azepan-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(azepan-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(1-azepanyl)-1-[4-(benzenesulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(azepan-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(azepan-1-yl)-1-(4-besylpiperazino)ethanone Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H27N3O3S/c22-18(16-19-10-6-1-2-7-11-19)20-12-14-21(15-13-20)25(23,24)17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2