N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(5-amino-4-cyano-1-pyrazolyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3N4C(=C(C=N4)C#N)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3N4C(=C(C=N4)C#N)N

InChI

InChI=1S/C18H15N5O4S/c19-10-12-11-21-23(18(12)20)15-4-2-1-3-14(15)22-28(24,25)13-5-6-16-17(9-13)27-8-7-26-16/h1-6,9,11,22H,7-8,20H2