(3,5-dimethylphenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid (3,5-dimethylbenzyl) ester Formula: C18H20FNO4S MolecularWeight: 365.419103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H20FNO4S/c1-13-8-14(2)10-15(9-13)12-24-18(21)11-20(3)25(22,23)17-6-4-16(19)5-7-17/h4-10H,11-12H2,1-3H3