N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-(1,3-benzothiazol-2-ylthio)propanoyl]phenyl]methanesulfonamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N2O3S3/c1-11(23-17-18-14-5-3-4-6-15(14)24-17)16(20)12-7-9-13(10-8-12)19-25(2,21)22/h3-11,19H,1-2H3