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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)-(2-hydroxyethyl)amino]propane-1-sulfonic acid Openeye Name: 3-[5-chloro-N-(2-hydroxyethyl)-2-methoxy-anilino]propane-1-sulfonic acid CAS Name: 3-[5-chloro-N-(2-hydroxyethyl)-2-methoxyanilino]-1-propanesulfonic acid IUPAC Name: 3-[5-chloro-N-(2-hydroxyethyl)-2-methoxyanilino]propane-1-sulfonic acid Traditional Name: 3-[5-chloro-N-(2-hydroxyethyl)-2-methoxy-anilino]propane-1-sulfonic acid Formula: C12H18ClNO5S MolecularWeight: 323.79302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N(CCCS(=O)(=O)O)CCO

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N(CCCS(=O)(=O)O)CCO

InChI

InChI=1S/C12H18ClNO5S/c1-19-12-4-3-10(13)9-11(12)14(6-7-15)5-2-8-20(16,17)18/h3-4,9,15H,2,5-8H2,1H3,(H,16,17,18)