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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-16-2-8-19(9-3-16)28(26,27)24-12-10-23(11-13-24)15-20(25)22-14-17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3,(H,22,25)/p+1