methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: methyl-[(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H23N3O3S2/c1-13(21(2)12-14-4-8-16(25-3)9-5-14)18(22)20-15-6-10-17(11-7-15)26(19,23)24/h4-11,13H,12H2,1-3H3,(H,20,22)(H2,19,23,24)/p+1/t13-/m1/s1