4-phenyl-3-prop-2-enylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenyl-3-prop-2-enylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-allylsulfanyl-4-phenyl-5-sulfamoyl-benzoic acid CAS Name: 4-phenyl-3-(prop-2-enylthio)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenyl-3-prop-2-enylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(allylthio)-4-phenyl-5-sulfamoyl-benzoic acid Formula: C16H15NO4S2 MolecularWeight: 349.4246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)C2=CC=CC=C2

Isomeric SMILES

C=CCSC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO4S2/c1-2-8-22-13-9-12(16(18)19)10-14(23(17,20)21)15(13)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2,(H,18,19)(H2,17,20,21)