3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-chloranyl-4-(methylsulfonylamino)phenyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-chloranyl-4-(methylsulfonylamino)phenyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-chloro-4-(methanesulfonamido)phenyl]propionamide Formula: C17H16ClN3O3S3 MolecularWeight: 441.97524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H16ClN3O3S3/c1-27(23,24)21-13-7-6-11(10-12(13)18)19-16(22)8-9-25-17-20-14-4-2-3-5-15(14)26-17/h2-7,10,21H,8-9H2,1H3,(H,19,22)