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

Systemtic Name: N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(3-chloro-4-methoxyphenyl)-2-thiazolyl]-4-fluoro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-4-fluoro-3-pyrrolidinosulfonyl-benzamide Formula: C21H19ClFN3O4S2 MolecularWeight: 495.974663

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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)F)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN3O4S2/c1-30-18-7-5-13(10-15(18)22)17-12-31-21(24-17)25-20(27)14-4-6-16(23)19(11-14)32(28,29)26-8-2-3-9-26/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,25,27)