5-tert-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-benzenesulfonamide

Systemtic Name: 5-tert-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-benzenesulfonamide Openeye Name: 5-tert-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-benzenesulfonamide CAS Name: 5-tert-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbenzenesulfonamide IUPAC Name: 5-tert-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbenzenesulfonamide Traditional Name: 5-tert-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-benzenesulfonamide Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H25NO4S/c1-14-6-7-15(20(2,3)4)12-19(14)26(22,23)21-16-8-9-17-18(13-16)25-11-5-10-24-17/h6-9,12-13,21H,5,10-11H2,1-4H3