3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,6-dimethoxyphenyl)methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,6-dimethoxyphenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,6-dimethoxyphenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(2,6-dimethoxyphenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,6-dimethoxyphenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2,6-dimethoxybenzyl)propane-1-sulfonamide Formula: C19H22N2O4S3 MolecularWeight: 438.58398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C(=CC=C1)OC)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H22N2O4S3/c1-24-16-8-5-9-17(25-2)14(16)13-20-28(22,23)12-6-11-26-19-21-15-7-3-4-10-18(15)27-19/h3-5,7-10,20H,6,11-13H2,1-2H3