3-chloranyl-N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-6-fluoro-benzothiophene-2-carboxamide Formula: C22H22ClFN2O4S2 MolecularWeight: 497.002483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN2O4S2/c1-2-30-18-9-7-15(32(28,29)26-10-4-3-5-11-26)13-17(18)25-22(27)21-20(23)16-8-6-14(24)12-19(16)31-21/h6-9,12-13H,2-5,10-11H2,1H3,(H,25,27)