2-[(3-ethoxyphenyl)-methylsulfonyl-amino]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]ethanamide

Systemtic Name: 2-[(3-ethoxyphenyl)-methylsulfonyl-amino]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(3-ethoxy-N-methylsulfonyl-anilino)-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]acetamide CAS Name: 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-[(2-fluorophenyl)methylthio]propyl]acetamide IUPAC Name: 2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(3-ethoxy-N-mesyl-anilino)-N-[3-[(2-fluorobenzyl)thio]propyl]acetamide Formula: C21H27FN2O4S2 MolecularWeight: 454.578483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC(=O)NCCCSCC2=CC=CC=C2F)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NCCCSCC2=CC=CC=C2F)S(=O)(=O)C

InChI

InChI=1S/C21H27FN2O4S2/c1-3-28-19-10-6-9-18(14-19)24(30(2,26)27)15-21(25)23-12-7-13-29-16-17-8-4-5-11-20(17)22/h4-6,8-11,14H,3,7,12-13,15-16H2,1-2H3,(H,23,25)