dimethyl 4,5-bis[1-(phenylsulfonyl)indol-3-yl]-1,6-dihydropyridazine-3,6-dicarboxylate

Systemtic Name: dimethyl 4,5-bis[1-(phenylsulfonyl)indol-3-yl]-1,6-dihydropyridazine-3,6-dicarboxylate Openeye Name: dimethyl 4,5-bis[1-(benzenesulfonyl)indol-3-yl]-1,6-dihydropyridazine-3,6-dicarboxylate CAS Name: 4,5-bis[1-(benzenesulfonyl)-3-indolyl]-1,6-dihydropyridazine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4,5-bis[1-(benzenesulfonyl)indol-3-yl]-1,6-dihydropyridazine-3,6-dicarboxylate Traditional Name: 4,5-bis(1-besylindol-3-yl)-1,6-dihydropyridazine-3,6-dicarboxylic acid dimethyl ester Formula: C36H28N4O8S2 MolecularWeight: 708.75952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=C(C(=NN1)C(=O)OC)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7

Isomeric SMILES

COC(=O)C1C(=C(C(=NN1)C(=O)OC)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7

InChI

InChI=1S/C36H28N4O8S2/c1-47-35(41)33-31(27-21-39(29-19-11-9-17-25(27)29)49(43,44)23-13-5-3-6-14-23)32(34(38-37-33)36(42)48-2)28-22-40(30-20-12-10-18-26(28)30)50(45,46)24-15-7-4-8-16-24/h3-22,33,37H,1-2H3