6-azanyl-5-(1,3-benzodioxol-5-ylmethyl)-7-(phenylsulfonyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

Systemtic Name: 6-azanyl-5-(1,3-benzodioxol-5-ylmethyl)-7-(phenylsulfonyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Openeye Name: 6-amino-7-(benzenesulfonyl)-5-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile CAS Name: 6-amino-7-(benzenesulfonyl)-5-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile IUPAC Name: 6-amino-7-(benzenesulfonyl)-5-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Traditional Name: 6-amino-7-besyl-5-piperonyl-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Formula: C22H14N6O4S MolecularWeight: 458.44936

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=NC(=C(N=C43)C#N)C#N)S(=O)(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=NC(=C(N=C43)C#N)C#N)S(=O)(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C22H14N6O4S/c23-9-15-16(10-24)27-22-19(26-15)20(33(29,30)14-4-2-1-3-5-14)21(25)28(22)11-13-6-7-17-18(8-13)32-12-31-17/h1-8H,11-12,25H2