2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid

Systemtic Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid Openeye Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid CAS Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-6-(4-morpholinyl)-4-hexynoic acid IUPAC Name: 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acid Traditional Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid Formula: C23H26N2O5S2 MolecularWeight: 474.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O

InChI

InChI=1S/C23H26N2O5S2/c1-31-20-9-5-18(6-10-20)19-7-11-21(12-8-19)32(28,29)24-22(23(26)27)4-2-3-13-25-14-16-30-17-15-25/h5-12,22,24H,4,13-17H2,1H3,(H,26,27)