4-[bis(fluoranyl)methylsulfonyl]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfonyl]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-(difluoromethylsulfonyl)-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-(difluoromethylsulfonyl)-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C19H17F2N3O3S2 MolecularWeight: 437.483386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)F

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)F

InChI

InChI=1S/C19H17F2N3O3S2/c20-18(21)29(26,27)14-6-3-12(4-7-14)17(25)22-13-5-8-15-16(11-13)28-19(23-15)24-9-1-2-10-24/h3-8,11,18H,1-2,9-10H2,(H,22,25)