N-(4-ethoxyphenyl)-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H27N3O4S/c1-4-28-19-9-7-18(8-10-19)22-29(26,27)20-15-17(6-5-16(20)2)21(25)24-13-11-23(3)12-14-24/h5-10,15,22H,4,11-14H2,1-3H3/p+1