3-[[(3-bromophenyl)-ethyl-amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[(3-bromophenyl)-ethyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(3-bromo-N-ethyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(3-bromo-N-ethylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(3-bromo-N-ethylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(3-bromo-N-ethyl-anilino)methyl]besylic acid Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H16BrNO3S/c1-2-17(14-7-4-6-13(16)10-14)11-12-5-3-8-15(9-12)21(18,19)20/h3-10H,2,11H2,1H3,(H,18,19,20)