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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

InChI

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