methyl 2-[[4-[(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[(4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[[4-fluoro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[(4-fluoro-3-pyrrolidinosulfonyl-benzoyl)amino]benzoyl]amino]acetic acid methyl ester Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H22FN3O6S/c1-31-19(26)13-23-20(27)14-4-7-16(8-5-14)24-21(28)15-6-9-17(22)18(12-15)32(29,30)25-10-2-3-11-25/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,27)(H,24,28)