[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: (2-isobutoxy-7-methylsulfanyl-3-quinolyl)methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [2-(2-methylpropoxy)-7-(methylthio)-3-quinolinyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [2-isobutoxy-7-(methylthio)-3-quinolyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C23H30N3O3S2+ MolecularWeight: 460.6326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C2C=CC(=CC2=N1)SC)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)COC1=C(C=C2C=CC(=CC2=N1)SC)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H29N3O3S2/c1-16(2)15-29-23-19(12-18-6-7-20(30-3)13-22(18)26-23)14-25-11-10-17-4-8-21(9-5-17)31(24,27)28/h4-9,12-13,16,25H,10-11,14-15H2,1-3H3,(H2,24,27,28)/p+1