[2-[[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[4-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C25H35N3O4S/c1-5-28(6-2)19-23-11-8-7-10-22(23)18-26-25(30)12-9-17-27(4)33(31,32)24-15-13-21(14-16-24)20(3)29/h7-8,10-11,13-16H,5-6,9,12,17-19H2,1-4H3,(H,26,30)/p+1