N-(2-methylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-methylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(methylthio)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-methylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(methylthio)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CSC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H17NO4S2/c1-22-16-6-3-2-5-13(16)17-23(18,19)12-7-8-14-15(11-12)21-10-4-9-20-14/h2-3,5-8,11,17H,4,9-10H2,1H3