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

Systemtic Name: N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=NC(=NO3)C4=CC=NC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=NC(=NO3)C4=CC=NC=C4)OC1

InChI

InChI=1S/C17H16N4O5S/c22-27(23,13-2-3-14-15(10-13)25-9-1-8-24-14)19-11-16-20-17(21-26-16)12-4-6-18-7-5-12/h2-7,10,19H,1,8-9,11H2