2-(2-bromanyl-4-ethyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C21H27BrN3O4S+ MolecularWeight: 497.42578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)Br

InChI

InChI=1S/C21H26BrN3O4S/c1-3-16-4-9-20(19(22)14-16)29-15-21(26)23-17-5-7-18(8-6-17)30(27,28)25-12-10-24(2)11-13-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)/p+1