N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C23H22N4O3S3 MolecularWeight: 498.64078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4O3S3/c28-22(17-7-5-13-26(15-17)33(29,30)21-11-6-14-31-21)27(16-18-8-3-4-12-24-18)23-25-19-9-1-2-10-20(19)32-23/h1-4,6,8-12,14,17H,5,7,13,15-16H2