N-cyclopropyl-2-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-hydroxy-3-(3-nitrophenoxy)propyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-hydroxy-3-(3-nitrophenoxy)propyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]thio]cinchoninamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(COC4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(COC4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H21N3O5S/c26-16(12-30-17-5-3-4-15(10-17)25(28)29)13-31-21-11-19(22(27)23-14-8-9-14)18-6-1-2-7-20(18)24-21/h1-7,10-11,14,16,26H,8-9,12-13H2,(H,23,27)