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

Systemtic Name: N-[[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]methyl]ethanamide Openeye Name: N-[[4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]methyl]acetamide CAS Name: N-[[4-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]methyl]acetamide Traditional Name: N-[4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzyl]acetamide Formula: C18H23BrN3O3S2+ MolecularWeight: 473.42752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H22BrN3O3S2/c1-14(23)20-12-15-2-5-17(6-3-15)27(24,25)22-10-8-21(9-11-22)13-16-4-7-18(19)26-16/h2-7H,8-13H2,1H3,(H,20,23)/p+1