5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-N-(4-methylphenyl)benzenesulfonamide

Systemtic Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methyl-N-(p-tolyl)benzenesulfonamide CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methyl-N-(p-tolyl)benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CCO)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CCO)C

InChI

InChI=1S/C21H27N3O4S/c1-16-3-7-19(8-4-16)22-29(27,28)20-15-18(6-5-17(20)2)21(26)24-11-9-23(10-12-24)13-14-25/h3-8,15,22,25H,9-14H2,1-2H3/p+1