4-[[(2-ethylphenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 4-[[(2-ethylphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 4-[(2-ethylanilino)methyl]benzenesulfonic acid CAS Name: 4-[(2-ethylanilino)methyl]benzenesulfonic acid IUPAC Name: 4-[(2-ethylanilino)methyl]benzenesulfonic acid Traditional Name: 4-[(2-ethylanilino)methyl]besylic acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NCC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NCC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H17NO3S/c1-2-13-5-3-4-6-15(13)16-11-12-7-9-14(10-8-12)20(17,18)19/h3-10,16H,2,11H2,1H3,(H,17,18,19)