N-(5-chloranyl-2-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H25ClN3O4S+ MolecularWeight: 438.9482

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

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