N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-15-3-6-17(7-4-15)29(26,27)24-11-9-23(10-12-24)14-20(25)22-16-5-8-19(28-2)18(21)13-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1