3-[[5-(cyclopropylsulfamoyl)-2-methyl-phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[5-(cyclopropylsulfamoyl)-2-methyl-phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[5-(cyclopropylsulfamoyl)-2-methyl-benzoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[5-(cyclopropylsulfamoyl)-2-methylphenyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[5-(cyclopropylsulfamoyl)-2-methyl-benzoyl]amino]propyl]-methyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-17-9-12-20(29(27,28)24-19-10-11-19)15-21(17)22(26)23-13-6-14-25(2)16-18-7-4-3-5-8-18/h3-5,7-9,12,15,19,24H,6,10-11,13-14,16H2,1-2H3,(H,23,26)/p+1