[2-[[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[4-[(3,4-dimethylphenyl)sulfonylamino]-1-oxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[4-[(3,4-dimethylphenyl)sulfonylamino]butanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NCC2=CC=CC=C2C[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NCC2=CC=CC=C2C[NH+](C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-17-11-12-21(14-18(17)2)29(27,28)24-13-7-10-22(26)23-15-19-8-5-6-9-20(19)16-25(3)4/h5-6,8-9,11-12,14,24H,7,10,13,15-16H2,1-4H3,(H,23,26)/p+1