N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H24N2O8S2 MolecularWeight: 484.54316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H24N2O8S2/c1-27-18-5-3-15(13-20(18)32(25,26)22-7-11-28-12-8-22)21-31(23,24)16-4-6-17-19(14-16)30-10-2-9-29-17/h3-6,13-14,21H,2,7-12H2,1H3