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

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H25NO5S/c1-20(2,3)14-6-8-17(24-4)16(12-14)21-27(22,23)15-7-9-18-19(13-15)26-11-5-10-25-18/h6-9,12-13,21H,5,10-11H2,1-4H3