N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxamide Formula: C21H22FN5O4S2 MolecularWeight: 491.558883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4)F

InChI

InChI=1S/C21H22FN5O4S2/c1-13(28)23-14-5-6-16(17(22)9-14)18-12-32-21(24-18)25-20(29)19-10-15(11-26(19)2)33(30,31)27-7-3-4-8-27/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,23,28)(H,24,25,29)