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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[2,4-bis(fluoranyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,4-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,4-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,4-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,4-difluorophenyl)sulfonyl-isonipecotamide Formula: C21H20F2N4O4S2 MolecularWeight: 494.534706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H20F2N4O4S2/c1-12(28)24-15-3-4-17-18(11-15)32-21(25-17)26-20(29)13-6-8-27(9-7-13)33(30,31)19-5-2-14(22)10-16(19)23/h2-5,10-11,13H,6-9H2,1H3,(H,24,28)(H,25,26,29)