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

Systemtic Name: N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(5-amino-4-cyano-1-pyrazolyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3N4C(=C(C=N4)C#N)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3N4C(=C(C=N4)C#N)N)OC1

InChI

InChI=1S/C19H17N5O4S/c20-11-13-12-22-24(19(13)21)16-5-2-1-4-15(16)23-29(25,26)14-6-7-17-18(10-14)28-9-3-8-27-17/h1-2,4-7,10,12,23H,3,8-9,21H2