methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]azanium Traditional Name: [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H25N3O3S2/c1-22(13-16-3-7-17(26-2)8-4-16)14-19(23)21-12-11-15-5-9-18(10-6-15)27(20,24)25/h3-10H,11-14H2,1-2H3,(H,21,23)(H2,20,24,25)/p+1