methyl 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: methyl 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 5-[4-(1-piperidylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 5-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 5-(4-piperidinosulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC2=NC=C(C=C12)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CNC2=NC=C(C=C12)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H21N3O4S/c1-27-20(24)18-13-22-19-17(18)11-15(12-21-19)14-5-7-16(8-6-14)28(25,26)23-9-3-2-4-10-23/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,22)