2-[4-(5-bromanyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(5-bromanyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(5-bromo-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-(5-bromo-2-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(5-bromo-2-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(5-bromo-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C16H23BrN3O3S+ MolecularWeight: 417.34112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C16H22BrN3O3S/c1-12-2-3-13(17)10-15(12)24(22,23)20-8-6-19(7-9-20)11-16(21)18-14-4-5-14/h2-3,10,14H,4-9,11H2,1H3,(H,18,21)/p+1