2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C22H29ClN3O3S+ MolecularWeight: 451.00196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-3-17-7-5-8-18(4-2)22(17)24-21(27)16-25-11-13-26(14-12-25)30(28,29)20-10-6-9-19(23)15-20/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,27)/p+1