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

Systemtic Name: 3-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-[1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-[1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-[1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(=CC3)C4=CNC5=C4C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(=CC3)C4=CNC5=C4C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c28-27(29)21-14-17(32(30,31)26-10-1-2-11-26)5-6-20(21)25-12-7-16(8-13-25)19-15-24-22-18(19)4-3-9-23-22/h3-7,9,14-15H,1-2,8,10-13H2,(H,23,24)