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

Systemtic Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-propargyl-acetamide Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-7-8-22-19(25)15-23-9-11-24(12-10-23)28(26,27)20-16(2)13-18(14-17(20)3)21(4,5)6/h1,13-14H,8-12,15H2,2-6H3,(H,22,25)/p+1