N-(3-fluoranyl-4-methoxy-phenyl)-3-nitro-N-propylsulfonyl-4-pyridin-2-ylsulfanyl-benzamide

Systemtic Name: N-(3-fluoranyl-4-methoxy-phenyl)-3-nitro-N-propylsulfonyl-4-pyridin-2-ylsulfanyl-benzamide Openeye Name: N-(3-fluoro-4-methoxy-phenyl)-3-nitro-N-propylsulfonyl-4-(2-pyridylsulfanyl)benzamide CAS Name: N-(3-fluoro-4-methoxyphenyl)-3-nitro-N-propylsulfonyl-4-(2-pyridinylthio)benzamide IUPAC Name: N-(3-fluoro-4-methoxyphenyl)-3-nitro-N-propylsulfonyl-4-pyridin-2-ylsulfanylbenzamide Traditional Name: N-(3-fluoro-4-methoxy-phenyl)-3-nitro-N-propylsulfonyl-4-(2-pyridylthio)benzamide Formula: C22H20FN3O6S2 MolecularWeight: 505.539103

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H20FN3O6S2/c1-3-12-34(30,31)25(16-8-9-19(32-2)17(23)14-16)22(27)15-7-10-20(18(13-15)26(28)29)33-21-6-4-5-11-24-21/h4-11,13-14H,3,12H2,1-2H3