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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)-(2-hydroxyethyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[5-chloro-N-(2-hydroxyethyl)-2-methoxy-anilino]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[5-chloro-N-(2-hydroxyethyl)-2-methoxyanilino]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[5-chloro-N-(2-hydroxyethyl)-2-methoxyanilino]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[5-chloro-N-(2-hydroxyethyl)-2-methoxy-anilino]-2-hydroxy-propane-1-sulfonic acid Formula: C12H18ClNO6S MolecularWeight: 339.79242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N(CCO)CC(CS(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N(CCO)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C12H18ClNO6S/c1-20-12-3-2-9(13)6-11(12)14(4-5-15)7-10(16)8-21(17,18)19/h2-3,6,10,15-16H,4-5,7-8H2,1H3,(H,17,18,19)