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

Systemtic Name: 3-[[(2-chlorophenyl)-ethyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(2-chloro-N-ethyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(2-chloro-N-ethylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(2-chloro-N-ethylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(2-chloro-N-ethyl-anilino)methyl]besylic acid Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=CC=C2Cl

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=CC=C2Cl

InChI

InChI=1S/C15H16ClNO3S/c1-2-17(15-9-4-3-8-14(15)16)11-12-6-5-7-13(10-12)21(18,19)20/h3-10H,2,11H2,1H3,(H,18,19,20)