N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C20H25NO5S/c1-15-11-16(2)13-17(12-15)24-10-7-21(3)27(22,23)18-5-6-19-20(14-18)26-9-4-8-25-19/h5-6,11-14H,4,7-10H2,1-3H3