2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(4-chlorophenyl)sulfonyl-1-piperonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C20H15ClN4O5S MolecularWeight: 458.8749

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O5S/c21-12-2-4-13(5-3-12)31(27,28)18-14-8-23-24-20(26)17(14)25(19(18)22)9-11-1-6-15-16(7-11)30-10-29-15/h1-8H,9-10,22H2,(H,24,26)