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

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(o-tolylmethyl)acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylbenzyl)acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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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=CC=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3C)C

InChI

InChI=1S/C22H29N3O3S/c1-17-8-9-21(14-19(17)3)29(27,28)25-12-10-24(11-13-25)16-22(26)23-15-20-7-5-4-6-18(20)2/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)/p+1