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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=C(C=C4S3)F)F)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=C(C=C4S3)F)F)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H20F2N4O3S3/c24-16-12-18(25)21-19(13-16)34-23(27-21)29(14-17-4-1-2-8-26-17)22(30)15-6-9-28(10-7-15)35(31,32)20-5-3-11-33-20/h1-5,8,11-13,15H,6-7,9-10,14H2