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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(3,4-difluorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H21F2N3O4S2 MolecularWeight: 481.535946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H21F2N3O4S2/c1-2-30-14-3-6-18-19(11-14)31-21(24-18)25-20(27)13-7-9-26(10-8-13)32(28,29)15-4-5-16(22)17(23)12-15/h3-6,11-13H,2,7-10H2,1H3,(H,24,25,27)