tert-butyl-[3-[[3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[[3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[3-[methyl(p-tolyl)sulfamoyl]benzoyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[[3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[3-[methyl(p-tolyl)sulfamoyl]benzoyl]amino]propyl]ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC[NH2+]C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC[NH2+]C(C)(C)C

InChI

InChI=1S/C22H31N3O3S/c1-17-10-12-19(13-11-17)25(5)29(27,28)20-9-6-8-18(16-20)21(26)23-14-7-15-24-22(2,3)4/h6,8-13,16,24H,7,14-15H2,1-5H3,(H,23,26)/p+1