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

Systemtic Name: N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21F3N2O4S/c21-20(22,23)14-4-6-17(25-8-1-2-9-25)16(12-14)24-30(26,27)15-5-7-18-19(13-15)29-11-3-10-28-18/h4-7,12-13,24H,1-3,8-11H2