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

Systemtic Name: N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-methyl-N-[4-(trifluoromethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H18F3NO4S MolecularWeight: 401.40003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3NO4S/c1-22(12-13-3-5-14(6-4-13)18(19,20)21)27(23,24)15-7-8-16-17(11-15)26-10-2-9-25-16/h3-8,11H,2,9-10,12H2,1H3