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

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C17H27BrN3O3S+ MolecularWeight: 433.38358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26BrN3O3S/c1-13(2)11-19-17(22)12-20-6-8-21(9-7-20)25(23,24)15-4-5-16(18)14(3)10-15/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,19,22)/p+1