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

Systemtic Name: methyl 1-ethanoyl-5-(4-methylphenyl)sulfonyl-pyridazino[4,5-b]indole-4-carboxylate Openeye Name: methyl 1-acetyl-5-(p-tolylsulfonyl)pyridazino[4,5-b]indole-4-carboxylate CAS Name: 1-acetyl-5-(4-methylphenyl)sulfonyl-4-pyridazino[4,5-b]indolecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-5-(4-methylphenyl)sulfonylpyridazino[4,5-b]indole-4-carboxylate Traditional Name: 1-acetyl-5-tosyl-pyridazin[4,5-b]indole-4-carboxylic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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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)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5S/c1-12-8-10-14(11-9-12)30(27,28)24-16-7-5-4-6-15(16)17-18(13(2)25)22-23-19(20(17)24)21(26)29-3/h4-11H,1-3H3