2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C19H25BrN3O3S2+ MolecularWeight: 487.4541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3)Br

InChI

InChI=1S/C19H24BrN3O3S2/c1-15-13-17(4-5-18(15)20)28(25,26)23-10-8-22(9-11-23)14-19(24)21-7-6-16-3-2-12-27-16/h2-5,12-13H,6-11,14H2,1H3,(H,21,24)/p+1