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

Systemtic Name: ethyl 4-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]butanoate Openeye Name: ethyl 4-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]butanoate CAS Name: 4-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(4-fluorobenzyl)-mesitylsulfonyl-amino]butyric acid ethyl ester Formula: C22H28FNO4S MolecularWeight: 421.525423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO4S/c1-5-28-21(25)7-6-12-24(15-19-8-10-20(23)11-9-19)29(26,27)22-17(3)13-16(2)14-18(22)4/h8-11,13-14H,5-7,12,15H2,1-4H3