N-(2-methoxyethyl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: N-(2-methoxyethyl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: N-(2-methoxyethyl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: N-(2-methoxyethyl)-5-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide IUPAC Name: N-(2-methoxyethyl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: N-(2-methoxyethyl)-5-[4-(4-methylpiperazino)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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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)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-26-8-10-27(11-9-26)32(29,30)18-5-3-16(4-6-18)17-13-19-20(15-25-21(19)24-14-17)22(28)23-7-12-31-2/h3-6,13-15H,7-12H2,1-2H3,(H,23,28)(H,24,25)