N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O6S+ MolecularWeight: 494.58438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC

Isomeric SMILES

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC

InChI

InChI=1S/C22H31N5O6S/c1-17-13-18(24-33-17)15-25-5-7-26(8-6-25)16-22(28)23-20-14-19(3-4-21(20)31-2)34(29,30)27-9-11-32-12-10-27/h3-4,13-14H,5-12,15-16H2,1-2H3,(H,23,28)/p+1