N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(3-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C=CN=C1C(C2=CC(=CC=C2)F)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20FN3O4S/c1-24-9-8-22-20(24)19(14-4-2-5-15(21)12-14)23-29(25,26)16-6-7-17-18(13-16)28-11-3-10-27-17/h2,4-9,12-13,19,23H,3,10-11H2,1H3