4-[(3-bromophenyl)methylamino]benzenesulfonic acid

Systemtic Name: 4-[(3-bromophenyl)methylamino]benzenesulfonic acid Openeye Name: 4-[(3-bromophenyl)methylamino]benzenesulfonic acid CAS Name: 4-[(3-bromophenyl)methylamino]benzenesulfonic acid IUPAC Name: 4-[(3-bromophenyl)methylamino]benzenesulfonic acid Traditional Name: 4-[(3-bromobenzyl)amino]besylic acid Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H12BrNO3S/c14-11-3-1-2-10(8-11)9-15-12-4-6-13(7-5-12)19(16,17)18/h1-8,15H,9H2,(H,16,17,18)