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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C=CC=C4Br

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C=CC=C4Br

InChI

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