N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C23H20F2N4O3S3 MolecularWeight: 534.621706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20F2N4O3S3/c24-16-11-17(25)21-19(12-16)34-23(27-21)28(14-15-5-3-8-26-13-15)22(30)18-6-1-2-9-29(18)35(31,32)20-7-4-10-33-20/h3-5,7-8,10-13,18H,1-2,6,9,14H2