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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C22H23N5O3S3 MolecularWeight: 501.64472

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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=CC=CC=C5S4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S3/c28-21(17-6-3-12-26(16-17)33(29,30)20-9-4-15-31-20)27(14-13-25-11-5-10-23-25)22-24-18-7-1-2-8-19(18)32-22/h1-2,4-5,7-11,15,17H,3,6,12-14,16H2