2-[(2-ethoxyphenyl)-methylsulfonyl-amino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]ethanamide

Systemtic Name: 2-[(2-ethoxyphenyl)-methylsulfonyl-amino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]ethanamide Openeye Name: 2-(2-ethoxy-N-methylsulfonyl-anilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide CAS Name: 2-(2-ethoxy-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylthio]propyl]acetamide IUPAC Name: 2-(2-ethoxy-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(2-ethoxy-N-mesyl-anilino)-N-[3-[(4-fluorobenzyl)thio]propyl]acetamide Formula: C21H27FN2O4S2 MolecularWeight: 454.578483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NCCCSCC2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NCCCSCC2=CC=C(C=C2)F)S(=O)(=O)C

InChI

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