4-tert-butyl-N-(3-fluoranyl-4-methoxy-phenyl)-3-nitro-N-propylsulfonyl-benzamide

Systemtic Name: 4-tert-butyl-N-(3-fluoranyl-4-methoxy-phenyl)-3-nitro-N-propylsulfonyl-benzamide Openeye Name: 4-tert-butyl-N-(3-fluoro-4-methoxy-phenyl)-3-nitro-N-propylsulfonyl-benzamide CAS Name: 4-tert-butyl-N-(3-fluoro-4-methoxyphenyl)-3-nitro-N-propylsulfonylbenzamide IUPAC Name: 4-tert-butyl-N-(3-fluoro-4-methoxyphenyl)-3-nitro-N-propylsulfonylbenzamide Traditional Name: 4-tert-butyl-N-(3-fluoro-4-methoxy-phenyl)-3-nitro-N-propylsulfonyl-benzamide Formula: C21H25FN2O6S MolecularWeight: 452.496403

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O6S/c1-6-11-31(28,29)23(15-8-10-19(30-5)17(22)13-15)20(25)14-7-9-16(21(2,3)4)18(12-14)24(26)27/h7-10,12-13H,6,11H2,1-5H3