2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethyl-ethanamide

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethyl-ethanamide Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethyl-acetamide CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclohexyl-N-ethylacetamide IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethylacetamide Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-ethyl-acetamide Formula: C20H31BrN3O3S+ MolecularWeight: 473.44744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCN(C1CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H30BrN3O3S/c1-2-24(18-8-4-3-5-9-18)20(25)16-22-11-13-23(14-12-22)28(26,27)19-10-6-7-17(21)15-19/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3/p+1