3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(2-methoxyphenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-o-anisyl-propane-1-sulfonamide Formula: C18H20N2O3S3 MolecularWeight: 408.558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC=C1CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N2O3S3/c1-23-16-9-4-2-7-14(16)13-19-26(21,22)12-6-11-24-18-20-15-8-3-5-10-17(15)25-18/h2-5,7-10,19H,6,11-13H2,1H3