N-[1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide

Systemtic Name: N-[1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide CAS Name: N-[1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-2-methylpropan-2-yl]benzenesulfonamide IUPAC Name: N-[1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-2-methylpropan-2-yl]benzenesulfonamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26ClN3O2S/c1-20(2,22-27(25,26)19-9-4-3-5-10-19)16-23-11-13-24(14-12-23)18-8-6-7-17(21)15-18/h3-10,15,22H,11-14,16H2,1-2H3/p+1