2-[(4-ethoxyphenyl)-methylsulfonyl-amino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)C

InChI

InChI=1S/C21H27FN2O4S2/c1-4-28-19-11-9-18(10-12-19)24(30(3,26)27)16(2)21(25)23-13-14-29-15-17-7-5-6-8-20(17)22/h5-12,16H,4,13-15H2,1-3H3,(H,23,25)