N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H20FN3O4S2 MolecularWeight: 461.529603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)F

InChI

InChI=1S/C21H20FN3O4S2/c1-29-19-9-6-15(12-17(19)22)18-13-30-21(23-18)24-20(26)14-4-7-16(8-5-14)31(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24,26)