N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23ClN3O5S2+ MolecularWeight: 460.97532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl)OC

InChI

InChI=1S/C18H22ClN3O5S2/c1-26-15-11-16(27-2)14(10-13(15)19)20-17(23)12-21-5-7-22(8-6-21)29(24,25)18-4-3-9-28-18/h3-4,9-11H,5-8,12H2,1-2H3,(H,20,23)/p+1