N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H16N2O4S3 MolecularWeight: 408.51494

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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)OCCCO4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C17H16N2O4S3/c1-24-17-18-13-5-3-11(9-16(13)25-17)19-26(20,21)12-4-6-14-15(10-12)23-8-2-7-22-14/h3-6,9-10,19H,2,7-8H2,1H3