dimethyl 5-(4-methylphenyl)sulfonylpyridazino[4,5-b]indole-1,4-dicarboxylate

Systemtic Name: dimethyl 5-(4-methylphenyl)sulfonylpyridazino[4,5-b]indole-1,4-dicarboxylate Openeye Name: dimethyl 5-(p-tolylsulfonyl)pyridazino[4,5-b]indole-1,4-dicarboxylate CAS Name: 5-(4-methylphenyl)sulfonylpyridazino[4,5-b]indole-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-methylphenyl)sulfonylpyridazino[4,5-b]indole-1,4-dicarboxylate Traditional Name: 5-tosylpyridazin[4,5-b]indole-1,4-dicarboxylic acid dimethyl ester Formula: C21H17N3O6S MolecularWeight: 439.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C(=NN=C4C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C(=NN=C4C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H17N3O6S/c1-12-8-10-13(11-9-12)31(27,28)24-15-7-5-4-6-14(15)16-17(20(25)29-2)22-23-18(19(16)24)21(26)30-3/h4-11H,1-3H3