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

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(3-morpholinosulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(3-morpholinosulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H22N2O7S2 MolecularWeight: 454.51718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C19H22N2O7S2/c22-29(23,16-5-6-18-19(14-16)28-10-2-9-27-18)20-15-3-1-4-17(13-15)30(24,25)21-7-11-26-12-8-21/h1,3-6,13-14,20H,2,7-12H2