3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chlorophenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chlorophenyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chlorophenyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-chlorophenyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chlorophenyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-chlorophenyl)propane-1-sulfonamide Formula: C16H15ClN2O2S3 MolecularWeight: 398.9505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H15ClN2O2S3/c17-12-5-3-6-13(11-12)19-24(20,21)10-4-9-22-16-18-14-7-1-2-8-15(14)23-16/h1-3,5-8,11,19H,4,9-10H2