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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H17NO4S2/c1-22-13-5-3-12(4-6-13)17-23(18,19)14-7-8-15-16(11-14)21-10-2-9-20-15/h3-8,11,17H,2,9-10H2,1H3