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

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(2-ketopyrrolidino)phenyl]acetamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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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)NC3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C26H34N4O4S/c1-26(2,3)20-6-12-23(13-7-20)35(33,34)29-17-15-28(16-18-29)19-24(31)27-21-8-10-22(11-9-21)30-14-4-5-25(30)32/h6-13H,4-5,14-19H2,1-3H3,(H,27,31)/p+1