N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C18H22Cl2N3O3S2+ MolecularWeight: 463.42158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H21Cl2N3O3S2/c1-28(25,26)14-3-4-15(19)16(10-14)21-18(24)12-23-8-6-22(7-9-23)11-13-2-5-17(20)27-13/h2-5,10H,6-9,11-12H2,1H3,(H,21,24)/p+1