3-[(4-fluorophenyl)methylamino]benzenesulfonic acid

Systemtic Name: 3-[(4-fluorophenyl)methylamino]benzenesulfonic acid Openeye Name: 3-[(4-fluorophenyl)methylamino]benzenesulfonic acid CAS Name: 3-[(4-fluorophenyl)methylamino]benzenesulfonic acid IUPAC Name: 3-[(4-fluorophenyl)methylamino]benzenesulfonic acid Traditional Name: 3-[(4-fluorobenzyl)amino]besylic acid Formula: C13H12FNO3S MolecularWeight: 281.302683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NCC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H12FNO3S/c14-11-6-4-10(5-7-11)9-15-12-2-1-3-13(8-12)19(16,17)18/h1-8,15H,9H2,(H,16,17,18)