methyl 5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: methyl 5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 5-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 5-[4-(4-methylpiperazino)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C4C(=C3)C(=CN4)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C4C(=C3)C(=CN4)C(=O)OC

InChI

InChI=1S/C20H22N4O4S/c1-23-7-9-24(10-8-23)29(26,27)16-5-3-14(4-6-16)15-11-17-18(20(25)28-2)13-22-19(17)21-12-15/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)