3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dimethoxypyridin-3-yl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dimethoxypyridin-3-yl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dimethoxy-3-pyridyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2,6-dimethoxy-3-pyridinyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dimethoxypyridin-3-yl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2,6-dimethoxy-3-pyridyl)propane-1-sulfonamide Formula: C17H19N3O4S3 MolecularWeight: 425.54546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S3/c1-23-15-9-8-13(16(19-15)24-2)20-27(21,22)11-5-10-25-17-18-12-6-3-4-7-14(12)26-17/h3-4,6-9,20H,5,10-11H2,1-2H3