1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(3,4-difluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C20H19F2N3O3S2 MolecularWeight: 451.509966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C20H19F2N3O3S2/c1-12-2-5-17-18(10-12)29-20(23-17)24-19(26)13-6-8-25(9-7-13)30(27,28)14-3-4-15(21)16(22)11-14/h2-5,10-11,13H,6-9H2,1H3,(H,23,24,26)