4-chloranyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 4-chloranyl-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(benzylamino)-4-chloro-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-chloro-2-[(phenylmethyl)amino]-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(benzylamino)-4-chloro-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(benzylamino)-4-chloro-5-sulfamoyl-besylic acid Formula: C13H13ClN2O5S2 MolecularWeight: 376.83572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H13ClN2O5S2/c14-10-6-11(16-8-9-4-2-1-3-5-9)13(23(19,20)21)7-12(10)22(15,17)18/h1-7,16H,8H2,(H2,15,17,18)(H,19,20,21)