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

Systemtic Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-4-fluoro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-4-fluoro-3-pyrrolidinosulfonyl-benzamide Formula: C22H22FN3O3S2 MolecularWeight: 459.556783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C22H22FN3O3S2/c1-14-5-7-17(15(2)11-14)19-13-30-22(24-19)25-21(27)16-6-8-18(23)20(12-16)31(28,29)26-9-3-4-10-26/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,25,27)