2-(5-fluoranyl-2-nitro-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(5-fluoranyl-2-nitro-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(5-fluoro-2-nitro-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-(5-fluoro-2-nitrophenoxy)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(5-fluoro-2-nitro-phenoxy)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O6S/c1-13(29-18-12-14(20)4-9-17(18)23(25)26)19(24)21-15-5-7-16(8-6-15)30(27,28)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,24)