2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-besyl-1-piperonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=C(C=NNC4=O)C(=C3N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=C(C=NNC4=O)C(=C3N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C20H16N4O5S/c21-19-18(30(26,27)13-4-2-1-3-5-13)14-9-22-23-20(25)17(14)24(19)10-12-6-7-15-16(8-12)29-11-28-15/h1-9H,10-11,21H2,(H,23,25)