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

Systemtic Name: N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=CC=N4)OC1

InChI

InChI=1S/C19H16F3N3O4S/c20-19(21,22)13-3-5-16(25-8-1-7-23-25)15(11-13)24-30(26,27)14-4-6-17-18(12-14)29-10-2-9-28-17/h1,3-8,11-12,24H,2,9-10H2