3-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]propane-1-sulfonic acid Openeye Name: 3-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]propane-1-sulfonic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCS(=O)(=O)O)CC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CN(CCCS(=O)(=O)O)CC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C13H20N2O4S2/c1-15(8-5-9-21(17,18)19)10-13(16)14-11-6-3-4-7-12(11)20-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,14,16)(H,17,18,19)