2-[[ethyl-(3-ethylphenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 2-[[ethyl-(3-ethylphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 2-[(N,3-diethylanilino)methyl]benzenesulfonic acid CAS Name: 2-[(N,3-diethylanilino)methyl]benzenesulfonic acid IUPAC Name: 2-[(N,3-diethylanilino)methyl]benzenesulfonic acid Traditional Name: 2-[(N,3-diethylanilino)methyl]besylic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(CC)CC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)N(CC)CC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C17H21NO3S/c1-3-14-8-7-10-16(12-14)18(4-2)13-15-9-5-6-11-17(15)22(19,20)21/h5-12H,3-4,13H2,1-2H3,(H,19,20,21)