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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O3S/c1-18-8-9-21(19(2)16-18)29(27,28)25-14-12-24(13-15-25)17-22(26)23-11-10-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)/p+1