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

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-1-piperonyl-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H18N4O5S/c1-12-2-5-14(6-3-12)31(27,28)19-15-9-23-24-21(26)18(15)25(20(19)22)10-13-4-7-16-17(8-13)30-11-29-16/h2-9H,10-11,22H2,1H3,(H,24,26)