N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dichlorophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dichlorophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C19H22Cl2N3O3S+ MolecularWeight: 443.36728

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(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2N3O3S/c1-14-2-5-16(6-3-14)28(26,27)24-10-8-23(9-11-24)13-19(25)22-15-4-7-17(20)18(21)12-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1