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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N(CCN2C=CC=N2)C3=NC4=C(S3)C=C(C=C4)F)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CCN2C=CC=N2)C3=NC4=C(S3)C=C(C=C4)F)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H22FN5O3S3/c23-16-7-8-17-19(15-16)33-22(25-17)27(13-12-26-10-4-9-24-26)21(29)18-5-1-2-11-28(18)34(30,31)20-6-3-14-32-20/h3-4,6-10,14-15,18H,1-2,5,11-13H2