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

Systemtic Name: 3-[(4-methylphenyl)methylamino]benzenesulfonic acid Openeye Name: 3-(p-tolylmethylamino)benzenesulfonic acid CAS Name: 3-[(4-methylphenyl)methylamino]benzenesulfonic acid IUPAC Name: 3-[(4-methylphenyl)methylamino]benzenesulfonic acid Traditional Name: 3-[(4-methylbenzyl)amino]besylic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C14H15NO3S/c1-11-5-7-12(8-6-11)10-15-13-3-2-4-14(9-13)19(16,17)18/h2-9,15H,10H2,1H3,(H,16,17,18)