3-[[azanyl-(4-chlorophenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[azanyl-(4-chlorophenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(N-amino-4-chloro-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(N-amino-4-chloroanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(N-amino-4-chloroanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(N-amino-4-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)CN(C2=CC=C(C=C2)Cl)N

Isomeric SMILES

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

InChI

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