N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C22H22FN5O3S3 MolecularWeight: 519.635183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=CC=C5S4)F

InChI

InChI=1S/C22H22FN5O3S3/c23-17-6-1-7-18-20(17)25-22(33-18)28(13-12-26-10-4-9-24-26)21(29)16-5-2-11-27(15-16)34(30,31)19-8-3-14-32-19/h1,3-4,6-10,14,16H,2,5,11-13,15H2