2-[(3-bromophenyl)-(phenylmethyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(3-bromophenyl)-(phenylmethyl)amino]ethanesulfonic acid Openeye Name: 2-(N-benzyl-3-bromo-anilino)ethanesulfonic acid CAS Name: 2-(3-bromo-N-(phenylmethyl)anilino)ethanesulfonic acid IUPAC Name: 2-(N-benzyl-3-bromoanilino)ethanesulfonic acid Traditional Name: 2-(N-benzyl-3-bromo-anilino)ethanesulfonic acid Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCS(=O)(=O)O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CN(CCS(=O)(=O)O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H16BrNO3S/c16-14-7-4-8-15(11-14)17(9-10-21(18,19)20)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,18,19,20)