N-tert-butyl-2-[4-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-ethyl-3-morpholinosulfonyl-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-ethyl-3-morpholinosulfonyl-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H37N4O5S+ MolecularWeight: 481.62868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H36N4O5S/c1-5-18-6-7-19(16-20(18)33(30,31)27-12-14-32-15-13-27)22(29)26-10-8-25(9-11-26)17-21(28)24-23(2,3)4/h6-7,16H,5,8-15,17H2,1-4H3,(H,24,28)/p+1