N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4S/c1-15-5-6-18(11-16(15)2)31(28,29)26-9-7-25(8-10-26)14-22(27)24-20-12-17(3)19(23)13-21(20)30-4/h5-6,11-13H,7-10,14H2,1-4H3,(H,24,27)/p+1