methyl 3-[4-butoxy-3-(methylsulfonylamino)-5-phenyl-phenyl]propanoate

Systemtic Name: methyl 3-[4-butoxy-3-(methylsulfonylamino)-5-phenyl-phenyl]propanoate Openeye Name: methyl 3-[4-butoxy-3-(methanesulfonamido)-5-phenyl-phenyl]propanoate CAS Name: 3-[4-butoxy-3-(methanesulfonamido)-5-phenylphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-butoxy-3-(methanesulfonamido)-5-phenylphenyl]propanoate Traditional Name: 3-[4-butoxy-3-(methanesulfonamido)-5-phenyl-phenyl]propionic acid methyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCC(=O)OC)NS(=O)(=O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCC(=O)OC)NS(=O)(=O)C

InChI

InChI=1S/C21H27NO5S/c1-4-5-13-27-21-18(17-9-7-6-8-10-17)14-16(11-12-20(23)26-2)15-19(21)22-28(3,24)25/h6-10,14-15,22H,4-5,11-13H2,1-3H3