methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoate

Systemtic Name: methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoate Openeye Name: methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholino-hex-4-ynoate CAS Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-6-(4-morpholinyl)-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate Traditional Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid methyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H28N2O5S2/c1-30-24(27)23(5-3-4-14-26-15-17-31-18-16-26)25-33(28,29)22-12-8-20(9-13-22)19-6-10-21(32-2)11-7-19/h6-13,23,25H,5,14-18H2,1-2H3