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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(2-thienyl)cinchoninamide Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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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=CS4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S2/c1-34(31,32)15-8-9-19(21(13-15)27(29)30)24-10-11-25-23(28)17-14-20(22-7-4-12-33-22)26-18-6-3-2-5-16(17)18/h2-9,12-14,24H,10-11H2,1H3,(H,25,28)