3-[[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]propyl]-methyl-ammonium Formula: C26H32N3O3S+ MolecularWeight: 466.61558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C26H31N3O3S/c1-20-9-7-12-25(21(20)2)28-33(31,32)24-15-13-23(14-16-24)26(30)27-17-8-18-29(3)19-22-10-5-4-6-11-22/h4-7,9-16,28H,8,17-19H2,1-3H3,(H,27,30)/p+1