1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(2,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(2,4-dimethoxyphenyl)ethanone Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C20H31N3O5S/c1-27-18-8-7-17(19(16-18)28-2)15-20(24)21-11-13-23(14-12-21)29(25,26)22-9-5-3-4-6-10-22/h7-8,16H,3-6,9-15H2,1-2H3