4-chloranyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[3-[(E)-2-(2-pyridyl)vinyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[3-[(E)-2-(2-pyridinyl)ethenyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[3-[(E)-2-(2-pyridyl)vinyl]phenyl]sulfamoyl]benzoic acid Formula: C20H15ClN2O4S MolecularWeight: 414.8621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=CC2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=NC(=C1)/C=C/C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C20H15ClN2O4S/c21-18-10-8-15(20(24)25)13-19(18)28(26,27)23-17-6-3-4-14(12-17)7-9-16-5-1-2-11-22-16/h1-13,23H,(H,24,25)/b9-7+