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

Systemtic Name: 4-[[ethyl-(4-fluoranyl-3-methyl-phenyl)amino]methyl]benzenesulfonic acid Openeye Name: 4-[(N-ethyl-4-fluoro-3-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 4-[(N-ethyl-4-fluoro-3-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 4-[(N-ethyl-4-fluoro-3-methylanilino)methyl]benzenesulfonic acid Traditional Name: 4-[(N-ethyl-4-fluoro-3-methyl-anilino)methyl]besylic acid Formula: C16H18FNO3S MolecularWeight: 323.382423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC(=C(C=C2)F)C

Isomeric SMILES

CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C16H18FNO3S/c1-3-18(14-6-9-16(17)12(2)10-14)11-13-4-7-15(8-5-13)22(19,20)21/h4-10H,3,11H2,1-2H3,(H,19,20,21)