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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C25H35N3O4S/c1-5-28(6-2)19-22-11-9-21(10-12-22)18-26-25(30)8-7-17-27(4)33(31,32)24-15-13-23(14-16-24)20(3)29/h9-16H,5-8,17-19H2,1-4H3,(H,26,30)/p+1