N-(4-bromanyl-3-methyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21BrN3O3S2+ MolecularWeight: 459.40094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)Br

InChI

InChI=1S/C17H20BrN3O3S2/c1-13-11-14(4-5-15(13)18)19-16(22)12-20-6-8-21(9-7-20)26(23,24)17-3-2-10-25-17/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)/p+1