N-[2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C)C)C(C)(C)C

InChI

InChI=1S/C20H33N3O3S/c1-15-13-18(20(4,5)6)14-16(2)19(15)27(25,26)23-11-9-22(10-12-23)8-7-21-17(3)24/h13-14H,7-12H2,1-6H3,(H,21,24)/p+1