3-[[(2-azanyl-5-chloranyl-phenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[(2-azanyl-5-chloranyl-phenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(2-amino-5-chloro-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(2-amino-5-chloroanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(2-amino-5-chloroanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(2-amino-5-chloro-anilino)methyl]besylic acid Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)CNC2=C(C=CC(=C2)Cl)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CNC2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C13H13ClN2O3S/c14-10-4-5-12(15)13(7-10)16-8-9-2-1-3-11(6-9)20(17,18)19/h1-7,16H,8,15H2,(H,17,18,19)