methyl 3-[5-chloranyl-1-(phenylsulfonyl)pyrrolo[3,2-b]pyridin-2-yl]propanoate

Systemtic Name: methyl 3-[5-chloranyl-1-(phenylsulfonyl)pyrrolo[3,2-b]pyridin-2-yl]propanoate Openeye Name: methyl 3-[1-(benzenesulfonyl)-5-chloro-pyrrolo[3,2-b]pyridin-2-yl]propanoate CAS Name: 3-[1-(benzenesulfonyl)-5-chloro-2-pyrrolo[3,2-b]pyridinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridin-2-yl]propanoate Traditional Name: 3-(1-besyl-5-chloro-pyrrolo[3,2-b]pyridin-2-yl)propionic acid methyl ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=N2)Cl

Isomeric SMILES

COC(=O)CCC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=N2)Cl

InChI

InChI=1S/C17H15ClN2O4S/c1-24-17(21)10-7-12-11-14-15(8-9-16(18)19-14)20(12)25(22,23)13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3