N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-fluoro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoro-3-pyrrolidinosulfonyl-benzamide Formula: C21H24FN3O7S MolecularWeight: 481.494563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24FN3O7S/c1-31-18-11-14(17(25(27)28)13-19(18)32-2)7-8-23-21(26)15-5-6-16(22)20(12-15)33(29,30)24-9-3-4-10-24/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,23,26)