2-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-(5-bromo-2-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H24BrN4O5S+ MolecularWeight: 488.37596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C18H23BrN4O5S/c1-3-27-15-5-4-14(19)11-16(15)29(25,26)23-8-6-22(7-9-23)12-18(24)20-17-10-13(2)28-21-17/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,21,24)/p+1