N-[4-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C20H25BrN3O4S+ MolecularWeight: 483.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H24BrN3O4S/c1-15(25)22-17-4-6-18(7-5-17)29(26,27)24-11-9-23(10-12-24)14-16-3-8-20(28-2)19(21)13-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1