N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(2-pyridylmethyl)isonipecotamide Formula: C25H22BrFN4O3S2 MolecularWeight: 589.499583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br)S(=O)(=O)C5=CC=CC=C5F

InChI

InChI=1S/C25H22BrFN4O3S2/c26-18-8-9-21-22(15-18)35-25(29-21)31(16-19-5-3-4-12-28-19)24(32)17-10-13-30(14-11-17)36(33,34)23-7-2-1-6-20(23)27/h1-9,12,15,17H,10-11,13-14,16H2