2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-17-9-10-20(18(2)15-17)28(26,27)24-13-11-23(12-14-24)16-21(25)22(3)19-7-5-4-6-8-19/h4-10,15H,11-14,16H2,1-3H3/p+1