methyl 4-fluoranyl-3-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[(5-morpholinosulfonyl-2-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-fluoro-3-[[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-fluoro-3-[(5-morpholinosulfonyl-2-pyrrolidino-benzoyl)amino]benzoic acid methyl ester Formula: C23H26FN3O6S MolecularWeight: 491.532443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C23H26FN3O6S/c1-32-23(29)16-4-6-19(24)20(14-16)25-22(28)18-15-17(5-7-21(18)26-8-2-3-9-26)34(30,31)27-10-12-33-13-11-27/h4-7,14-15H,2-3,8-13H2,1H3,(H,25,28)