N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H20Cl2N3O3S2+ MolecularWeight: 449.395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N3O3S2/c1-12-4-5-13(18)17(16(12)19)20-14(23)11-21-6-8-22(9-7-21)27(24,25)15-3-2-10-26-15/h2-5,10H,6-9,11H2,1H3,(H,20,23)/p+1