3-[1-(4-methylsulfonyl-2-nitro-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 3-[1-(4-methylsulfonyl-2-nitro-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-[1-(4-methylsulfonyl-2-nitro-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-[1-(4-methylsulfonyl-2-nitrophenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-[1-(4-methylsulfonyl-2-nitrophenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[1-(4-mesyl-2-nitro-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(=CC2)C3=CNC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(=CC2)C3=CNC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-28(26,27)14-4-5-17(18(11-14)23(24)25)22-9-6-13(7-10-22)16-12-21-19-15(16)3-2-8-20-19/h2-6,8,11-12H,7,9-10H2,1H3,(H,20,21)