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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O3S/c1-16-3-8-20(13-17(16)2)29(27,28)25-11-9-24(10-12-25)15-21(26)23-14-18-4-6-19(22)7-5-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+1