ethyl 3-[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]propanoate

Systemtic Name: ethyl 3-[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]propanoate Openeye Name: ethyl 3-[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]propanoate CAS Name: 3-[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]propanoate Traditional Name: 3-[(4-tert-butylphenyl)sulfonyl-(4-fluorobenzyl)amino]propionic acid ethyl ester Formula: C22H28FNO4S MolecularWeight: 421.525423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO4S/c1-5-28-21(25)14-15-24(16-17-6-10-19(23)11-7-17)29(26,27)20-12-8-18(9-13-20)22(2,3)4/h6-13H,5,14-16H2,1-4H3