methyl-[(2-methylphenyl)methyl]-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]-(o-tolylmethyl)ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H23N3O3S/c1-13-6-4-5-7-15(13)12-21(3)14(2)18(22)20-16-8-10-17(11-9-16)25(19,23)24/h4-11,14H,12H2,1-3H3,(H,20,22)(H2,19,23,24)/p+1/t14-/m0/s1