N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-cyclopropyl-N-[4-(trifluoromethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H20F3NO4S MolecularWeight: 427.43731

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)C(F)(F)F)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)C(F)(F)F)C4CC4)OC1

InChI

InChI=1S/C20H20F3NO4S/c21-20(22,23)15-4-2-14(3-5-15)13-24(16-6-7-16)29(25,26)17-8-9-18-19(12-17)28-11-1-10-27-18/h2-5,8-9,12,16H,1,6-7,10-11,13H2