3-[[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(3,4-dichloroanilino)-2-oxo-ethyl]-methyl-amino]propane-1-sulfonic acid CAS Name: 3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-propanesulfonic acid IUPAC Name: 3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propane-1-sulfonic acid Traditional Name: 3-[[2-(3,4-dichloroanilino)-2-keto-ethyl]-methyl-amino]propane-1-sulfonic acid Formula: C12H16Cl2N2O4S MolecularWeight: 355.23744

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCS(=O)(=O)O)CC(=O)NC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CN(CCCS(=O)(=O)O)CC(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H16Cl2N2O4S/c1-16(5-2-6-21(18,19)20)8-12(17)15-9-3-4-10(13)11(14)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,15,17)(H,18,19,20)