N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-fluoranyl-4-methyl-benzamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-fluoranyl-4-methyl-benzamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-fluoro-4-methyl-benzamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-fluoro-4-methylbenzamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-fluoro-4-methyl-benzamide Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23FN2O4S/c1-3-27-18-9-8-16(13-19(18)28(25,26)23-10-4-5-11-23)22-20(24)15-7-6-14(2)17(21)12-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)