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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(4-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(C=CC=C4S3)F)S(=O)(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N(CCN2C=CC=N2)C3=NC4=C(C=CC=C4S3)F)S(=O)(=O)C5=CC=C(S5)Cl

InChI

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