[(2S)-1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2S)-1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1S)-2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1S)-2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](C)OC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-12-5-6-15(28(25,26)20(3)4)11-16(12)19-17(22)13(2)27-18(23)14-7-9-21(24)10-8-14/h5-11,13H,1-4H3,(H,19,22)/t13-/m0/s1