1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-isopropylphenoxy)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(2-isopropylphenoxy)ethanone Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-18(2)19-9-5-6-10-20(19)28-17-21(25)22-13-15-24(16-14-22)29(26,27)23-11-7-3-4-8-12-23/h5-6,9-10,18H,3-4,7-8,11-17H2,1-2H3