1-[ethyl-(3-methoxyphenyl)amino]propane-1-sulfonic acid

Systemtic Name: 1-[ethyl-(3-methoxyphenyl)amino]propane-1-sulfonic acid Openeye Name: 1-(N-ethyl-3-methoxy-anilino)propane-1-sulfonic acid CAS Name: 1-(N-ethyl-3-methoxyanilino)-1-propanesulfonic acid IUPAC Name: 1-(N-ethyl-3-methoxyanilino)propane-1-sulfonic acid Traditional Name: 1-(N-ethyl-3-methoxy-anilino)propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(CC)C1=CC(=CC=C1)OC)S(=O)(=O)O

Isomeric SMILES

CCC(N(CC)C1=CC(=CC=C1)OC)S(=O)(=O)O

InChI

InChI=1S/C12H19NO4S/c1-4-12(18(14,15)16)13(5-2)10-7-6-8-11(9-10)17-3/h6-9,12H,4-5H2,1-3H3,(H,14,15,16)