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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H22ClN5O3S3 MolecularWeight: 536.08978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CCN2C=CC=N2)C3=NC4=C(S3)C=CC=C4Cl)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)N(CCN2C=CC=N2)C3=NC4=C(S3)C=CC=C4Cl)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H22ClN5O3S3/c23-17-4-1-5-18-20(17)25-22(33-18)28(14-13-26-10-3-9-24-26)21(29)16-7-11-27(12-8-16)34(30,31)19-6-2-15-32-19/h1-6,9-10,15-16H,7-8,11-14H2