methyl 2-[2-ethylbutyl-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-amino]ethanoate

Systemtic Name: methyl 2-[2-ethylbutyl-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-amino]ethanoate Openeye Name: methyl 2-[2-ethylbutyl-(4-fluoro-3-morpholinosulfonyl-benzoyl)amino]acetate CAS Name: 2-[2-ethylbutyl-[[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[2-ethylbutyl-(4-fluoro-3-morpholin-4-ylsulfonylbenzoyl)amino]acetate Traditional Name: 2-[2-ethylbutyl-(4-fluoro-3-morpholinosulfonyl-benzoyl)amino]acetic acid methyl ester Formula: C20H29FN2O6S MolecularWeight: 444.517463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN(CC(=O)OC)C(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCC(CC)CN(CC(=O)OC)C(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C20H29FN2O6S/c1-4-15(5-2)13-22(14-19(24)28-3)20(25)16-6-7-17(21)18(12-16)30(26,27)23-8-10-29-11-9-23/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3