N-(4-bromanyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C19H17BrFN3O3S2 MolecularWeight: 498.388983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=CC=C3Br)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=CC=C3Br)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H17BrFN3O3S2/c20-15-2-1-3-16-17(15)22-19(28-16)23-18(25)12-8-10-24(11-9-12)29(26,27)14-6-4-13(21)5-7-14/h1-7,12H,8-11H2,(H,22,23,25)