3-chloranyl-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-6-fluoro-benzothiophene-2-carboxamide Formula: C21H20ClFN2O5S2 MolecularWeight: 498.975303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H20ClFN2O5S2/c1-2-30-17-6-4-14(32(27,28)25-7-9-29-10-8-25)12-16(17)24-21(26)20-19(22)15-5-3-13(23)11-18(15)31-20/h3-6,11-12H,2,7-10H2,1H3,(H,24,26)