1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4-chloranylphenoxy)-2-methyl-propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4-chloranylphenoxy)-2-methyl-propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4-chlorophenoxy)-2-methyl-propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(4-chlorophenoxy)-2-methyl-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(4-chlorophenoxy)-2-methyl-propan-1-one Formula: C20H30ClN3O4S MolecularWeight: 443.9879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H30ClN3O4S/c1-20(2,28-18-9-7-17(21)8-10-18)19(25)22-13-15-24(16-14-22)29(26,27)23-11-5-3-4-6-12-23/h7-10H,3-6,11-16H2,1-2H3