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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

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