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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H22BrClN3O3S+ MolecularWeight: 487.81828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrClN3O3S/c1-14-2-7-18(17(20)12-14)22-19(25)13-23-8-10-24(11-9-23)28(26,27)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1