ethyl 5-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]pentanoate

Systemtic Name: ethyl 5-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]pentanoate Openeye Name: ethyl 5-[(4-fluoro-3-methyl-phenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]pentanoate CAS Name: 5-[(4-fluoro-3-methylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluoro-3-methylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]pentanoate Traditional Name: 5-[(4-fluorobenzyl)-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]valeric acid ethyl ester Formula: C21H25F2NO4S MolecularWeight: 425.489306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)CCCCN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C21H25F2NO4S/c1-3-28-21(25)6-4-5-13-24(15-17-7-9-18(22)10-8-17)29(26,27)19-11-12-20(23)16(2)14-19/h7-12,14H,3-6,13,15H2,1-2H3