N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-fluoro-benzothiophene-2-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-5-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-5-fluoro-benzothiophene-2-carboxamide Formula: C21H21FN2O4S2 MolecularWeight: 448.530843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21FN2O4S2/c1-2-28-17-7-6-16(13-20(17)30(26,27)24-9-3-4-10-24)23-21(25)19-12-14-11-15(22)5-8-18(14)29-19/h5-8,11-13H,2-4,9-10H2,1H3,(H,23,25)