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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4S/c1-15-4-6-17(7-5-15)30(27,28)25-10-8-24(9-11-25)14-21(26)23-19-12-16(2)18(22)13-20(19)29-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1