4-chloranyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide CAS Name: 4-chloro-N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide Formula: C19H14ClN3O2S3 MolecularWeight: 447.98136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H14ClN3O2S3/c20-13-4-7-16(8-5-13)28(24,25)23-14-6-9-17-18(11-14)27-19(22-17)26-12-15-3-1-2-10-21-15/h1-11,23H,12H2