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

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H24N2O7S2/c1-15-3-4-16(13-20(15)31(25,26)22-7-11-27-12-8-22)21-30(23,24)17-5-6-18-19(14-17)29-10-2-9-28-18/h3-6,13-14,21H,2,7-12H2,1H3