3-[[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-methyl-amino]propane-1-sulfonic acid CAS Name: 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-1-propanesulfonic acid IUPAC Name: 3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propane-1-sulfonic acid Traditional Name: 3-[[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-methyl-amino]propane-1-sulfonic acid Formula: C13H19ClN2O5S MolecularWeight: 350.81836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O5S/c1-16(6-3-7-22(18,19)20)9-13(17)15-11-8-10(14)4-5-12(11)21-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17)(H,18,19,20)