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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Br)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1C(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Br)S(=O)(=O)C5=CC=CC=C5F

InChI

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