3-[[4-(cyclopropylsulfamoyl)phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[4-(cyclopropylsulfamoyl)phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[4-(cyclopropylsulfamoyl)phenyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]propyl]-methyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-24(16-17-6-3-2-4-7-17)15-5-14-22-21(25)18-8-12-20(13-9-18)28(26,27)23-19-10-11-19/h2-4,6-9,12-13,19,23H,5,10-11,14-16H2,1H3,(H,22,25)/p+1