N-[2-(methylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(methylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H18N2O6S2/c1-25(19,20)17-13-5-2-3-6-14(13)18-26(21,22)12-7-8-15-16(11-12)24-10-4-9-23-15/h2-3,5-8,11,17-18H,4,9-10H2,1H3