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

Systemtic Name: N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CNN=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CNN=C3)OC1

InChI

InChI=1S/C12H13N3O4S/c16-20(17,15-9-7-13-14-8-9)10-2-3-11-12(6-10)19-5-1-4-18-11/h2-3,6-8,15H,1,4-5H2,(H,13,14)