N-(2-fluoranyl-5-nitro-phenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-fluoranyl-5-nitro-phenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-fluoro-5-nitro-phenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-fluoro-5-nitrophenyl)-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-fluoro-5-nitrophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-fluoro-5-nitro-phenyl)-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C18H18FN3O6S MolecularWeight: 423.415423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H18FN3O6S/c1-28-16-7-4-12(10-17(16)29(26,27)21-8-2-3-9-21)18(23)20-15-11-13(22(24)25)5-6-14(15)19/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)