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

Systemtic Name: N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[(E)-2-(2-pyridyl)vinyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[(E)-2-(2-pyridinyl)ethenyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-[(E)-2-(2-pyridyl)vinyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C=CC4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)/C=C/C4=CC=CC=N4)OC1

InChI

InChI=1S/C22H20N2O4S/c25-29(26,20-10-11-21-22(16-20)28-14-4-13-27-21)24-19-7-3-5-17(15-19)8-9-18-6-1-2-12-23-18/h1-3,5-12,15-16,24H,4,13-14H2/b9-8+