N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(2-pyridyl)cinchoninamide Formula: C24H21N5O5S MolecularWeight: 491.51904

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O5S/c1-35(33,34)16-9-10-21(23(14-16)29(31)32)26-12-13-27-24(30)18-15-22(20-8-4-5-11-25-20)28-19-7-3-2-6-17(18)19/h2-11,14-15,26H,12-13H2,1H3,(H,27,30)