N-(1,3-benzothiazol-2-ylmethyl)-1-[3,4-bis(fluoranyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[3,4-bis(fluoranyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3,4-difluorophenyl)sulfonyl-isonipecotamide Formula: C20H19F2N3O3S2 MolecularWeight: 451.509966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C20H19F2N3O3S2/c21-15-6-5-14(11-16(15)22)30(27,28)25-9-7-13(8-10-25)20(26)23-12-19-24-17-3-1-2-4-18(17)29-19/h1-6,11,13H,7-10,12H2,(H,23,26)