1-(azocan-1-yl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-(azocan-1-yl)ethanone CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-1-(1-azocanyl)ethanone IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-(azocan-1-yl)ethanone Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazino]-1-(azocan-1-yl)ethanone Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-18(25)19-7-9-20(10-8-19)29(27,28)24-15-13-22(14-16-24)17-21(26)23-11-5-3-2-4-6-12-23/h7-10H,2-6,11-17H2,1H3