N-[4-[4-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(5-bromo-2-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(5-bromo-2-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(5-bromo-2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(5-bromo-2-hydroxy-benzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C19H23BrN3O4S+ MolecularWeight: 469.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O4S/c1-14(24)21-17-3-5-18(6-4-17)28(26,27)23-10-8-22(9-11-23)13-15-12-16(20)2-7-19(15)25/h2-7,12,25H,8-11,13H2,1H3,(H,21,24)/p+1