N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyphenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C20H25N3O4S/c1-16-7-9-17(10-8-16)28(25,26)23-13-11-22(12-14-23)15-20(24)21-18-5-3-4-6-19(18)27-2/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1