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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C24H21F2N3O3S3 MolecularWeight: 533.633646

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H21F2N3O3S3/c25-17-13-18(26)22-20(14-17)34-24(27-22)28(15-16-7-2-1-3-8-16)23(30)19-9-4-5-11-29(19)35(31,32)21-10-6-12-33-21/h1-3,6-8,10,12-14,19H,4-5,9,11,15H2