methyl 1-(methylcarbamoyl)-5-(4-methylphenyl)sulfonyl-pyridazino[4,5-b]indole-4-carboxylate

Systemtic Name: methyl 1-(methylcarbamoyl)-5-(4-methylphenyl)sulfonyl-pyridazino[4,5-b]indole-4-carboxylate Openeye Name: methyl 1-(methylcarbamoyl)-5-(p-tolylsulfonyl)pyridazino[4,5-b]indole-4-carboxylate CAS Name: 1-(methylcarbamoyl)-5-(4-methylphenyl)sulfonyl-4-pyridazino[4,5-b]indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(methylcarbamoyl)-5-(4-methylphenyl)sulfonylpyridazino[4,5-b]indole-4-carboxylate Traditional Name: 1-(methylcarbamoyl)-5-tosyl-pyridazin[4,5-b]indole-4-carboxylic acid methyl ester Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O5S/c1-12-8-10-13(11-9-12)31(28,29)25-15-7-5-4-6-14(15)16-17(20(26)22-2)23-24-18(19(16)25)21(27)30-3/h4-11H,1-3H3,(H,22,26)