N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C23H36N5O5S+ MolecularWeight: 494.62744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H35N5O5S/c1-19-4-5-20(34(31,32)28-12-14-33-15-13-28)16-21(19)24-22(29)17-25-8-10-26(11-9-25)18-23(30)27-6-2-3-7-27/h4-5,16H,2-3,6-15,17-18H2,1H3,(H,24,29)/p+1