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

Systemtic Name: 3-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-6-fluoro-benzothiophene-2-carboxamide Formula: C21H20ClFN2O4S2 MolecularWeight: 482.975903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H20ClFN2O4S2/c1-2-29-16-8-6-14(12-18(16)31(27,28)25-9-3-4-10-25)24-21(26)20-19(22)15-7-5-13(23)11-17(15)30-20/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,26)