[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19ClFN3O7S MolecularWeight: 499.897163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H19ClFN3O7S/c1-12(19(26)23-13-4-7-17(22)18(10-13)25(28)29)32-20(27)15-11-14(5-6-16(15)21)33(30,31)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,23,26)