1-(5-chloranylthiophen-2-yl)sulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)isonipecotamide Formula: C22H21ClFN5O3S3 MolecularWeight: 554.080243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CCN2C=CC=N2)C3=NC4=C(S3)C=C(C=C4)F)S(=O)(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N(CCN2C=CC=N2)C3=NC4=C(S3)C=C(C=C4)F)S(=O)(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C22H21ClFN5O3S3/c23-19-4-5-20(34-19)35(31,32)28-10-6-15(7-11-28)21(30)29(13-12-27-9-1-8-25-27)22-26-17-3-2-16(24)14-18(17)33-22/h1-5,8-9,14-15H,6-7,10-13H2