3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propane-1-sulfonamide

Systemtic Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propane-1-sulfonamide Openeye Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(p-tolyl)propane-1-sulfonamide CAS Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)thio]-N-(4-methylphenyl)-1-propanesulfonamide IUPAC Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propane-1-sulfonamide Traditional Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)thio]-N-(p-tolyl)propane-1-sulfonamide Formula: C18H20N2O2S3 MolecularWeight: 392.5586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)CCCSC2=NC3=C(S2)C=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)CCCSC2=NC3=C(S2)C=CC(=C3)C

InChI

InChI=1S/C18H20N2O2S3/c1-13-4-7-15(8-5-13)20-25(21,22)11-3-10-23-18-19-16-12-14(2)6-9-17(16)24-18/h4-9,12,20H,3,10-11H2,1-2H3