4-pyrrolidin-1-ylsulfonyl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 4-pyrrolidin-1-ylsulfonyl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]benzamide Openeye Name: 4-pyrrolidin-1-ylsulfonyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-pyrrolidinylsulfonyl)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-pyrrolidin-1-ylsulfonyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-pyrrolidinosulfonyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzamide Formula: C18H14F3N3O3S2 MolecularWeight: 441.44727

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C(=C4F)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C(=C4F)F)F

InChI

InChI=1S/C18H14F3N3O3S2/c19-12-9-13-16(15(21)14(12)20)22-18(28-13)23-17(25)10-3-5-11(6-4-10)29(26,27)24-7-1-2-8-24/h3-6,9H,1-2,7-8H2,(H,22,23,25)