ethyl 3-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoate CAS Name: 3-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-fluorobenzyl)-mesitylsulfonyl-amino]propionic acid ethyl ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H26FNO4S/c1-5-27-20(24)10-11-23(14-18-6-8-19(22)9-7-18)28(25,26)21-16(3)12-15(2)13-17(21)4/h6-9,12-13H,5,10-11,14H2,1-4H3