2-[ethyl-(4-fluoranyl-3-methyl-phenyl)amino]ethanesulfonic acid

Systemtic Name: 2-[ethyl-(4-fluoranyl-3-methyl-phenyl)amino]ethanesulfonic acid Openeye Name: 2-(N-ethyl-4-fluoro-3-methyl-anilino)ethanesulfonic acid CAS Name: 2-(N-ethyl-4-fluoro-3-methylanilino)ethanesulfonic acid IUPAC Name: 2-(N-ethyl-4-fluoro-3-methylanilino)ethanesulfonic acid Traditional Name: 2-(N-ethyl-4-fluoro-3-methyl-anilino)ethanesulfonic acid Formula: C11H16FNO3S MolecularWeight: 261.313043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)(=O)O)C1=CC(=C(C=C1)F)C

Isomeric SMILES

CCN(CCS(=O)(=O)O)C1=CC(=C(C=C1)F)C

InChI

InChI=1S/C11H16FNO3S/c1-3-13(6-7-17(14,15)16)10-4-5-11(12)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,15,16)