4-chloranyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate

Systemtic Name: 4-chloranyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoate Openeye Name: 3-benzylsulfanyl-4-chloro-5-sulfamoyl-benzoate CAS Name: 4-chloro-3-(phenylmethylthio)-5-sulfamoylbenzoate IUPAC Name: 3-benzylsulfanyl-4-chloro-5-sulfamoylbenzoate Traditional Name: 3-(benzylthio)-4-chloro-5-sulfamoyl-benzoate Formula: C14H11ClNO4S2- MolecularWeight: 356.82444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)[O-])S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)[O-])S(=O)(=O)N)Cl

InChI

InChI=1S/C14H12ClNO4S2/c15-13-11(21-8-9-4-2-1-3-5-9)6-10(14(17)18)7-12(13)22(16,19)20/h1-7H,8H2,(H,17,18)(H2,16,19,20)/p-1