2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[(3-fluoro-4-methyl-phenyl)methyl]acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-benzyl)acetamide Formula: C18H22ClFN3O3S2+ MolecularWeight: 446.966983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)F

InChI

InChI=1S/C18H21ClFN3O3S2/c1-13-2-3-14(10-15(13)20)11-21-17(24)12-22-6-8-23(9-7-22)28(25,26)18-5-4-16(19)27-18/h2-5,10H,6-9,11-12H2,1H3,(H,21,24)/p+1