1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(2,5-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(2,5-dimethylphenoxy)ethanone Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-17-7-8-18(2)19(15-17)27-16-20(24)21-11-13-23(14-12-21)28(25,26)22-9-5-3-4-6-10-22/h7-8,15H,3-6,9-14,16H2,1-2H3