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

Systemtic Name: [4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[3-[(3,4-dimethylphenyl)sulfonylamino]-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C)C

InChI

InChI=1S/C21H29N3O3S/c1-16-5-10-20(13-17(16)2)28(26,27)23-12-11-21(25)22-14-18-6-8-19(9-7-18)15-24(3)4/h5-10,13,23H,11-12,14-15H2,1-4H3,(H,22,25)/p+1