N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C22H22FN5O3S3 MolecularWeight: 519.635183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C22H22FN5O3S3/c23-17-6-7-18-19(14-17)33-22(25-18)28(12-11-26-9-3-8-24-26)21(29)16-4-1-10-27(15-16)34(30,31)20-5-2-13-32-20/h2-3,5-9,13-14,16H,1,4,10-12,15H2