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

Systemtic Name: N-[3-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(2-pyridylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(2-pyridinylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(2-pyridylmethoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)OCC4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)OCC4=CC=CC=N4)OC1

InChI

InChI=1S/C21H20N2O5S/c24-29(25,19-8-9-20-21(14-19)27-12-4-11-26-20)23-16-6-3-7-18(13-16)28-15-17-5-1-2-10-22-17/h1-3,5-10,13-14,23H,4,11-12,15H2