2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S/c1-24(2,3)21-9-11-22(12-10-21)31(29,30)27-17-15-26(16-18-27)19-23(28)25-14-13-20-7-5-4-6-8-20/h4-12H,13-19H2,1-3H3,(H,25,28)/p+1