methyl-[(4-methylsulfanylphenyl)methyl]-[3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]propyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]propyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[3-oxo-3-(4-sulfamoylanilino)propyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[3-oxo-3-(4-sulfamoylanilino)propyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[3-oxo-3-(4-sulfamoylanilino)propyl]azanium Traditional Name: [3-keto-3-(4-sulfamoylanilino)propyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-21(13-14-3-7-16(25-2)8-4-14)12-11-18(22)20-15-5-9-17(10-6-15)26(19,23)24/h3-10H,11-13H2,1-2H3,(H,20,22)(H2,19,23,24)/p+1