N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C16H14N2O4S3 MolecularWeight: 394.48836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H14N2O4S3/c1-23-16-17-12-4-2-10(8-15(12)24-16)18-25(19,20)11-3-5-13-14(9-11)22-7-6-21-13/h2-5,8-9,18H,6-7H2,1H3