methyl (Z)-2-[(4-methylphenyl)sulfonylamino]-12-oxidanyl-dodec-6-en-4,8-diynoate

Systemtic Name: methyl (Z)-2-[(4-methylphenyl)sulfonylamino]-12-oxidanyl-dodec-6-en-4,8-diynoate Openeye Name: methyl (Z)-12-hydroxy-2-(p-tolylsulfonylamino)dodec-6-en-4,8-diynoate CAS Name: (Z)-12-hydroxy-2-[(4-methylphenyl)sulfonylamino]dodec-6-en-4,8-diynoic acid methyl ester IUPAC Name: methyl (Z)-12-hydroxy-2-[(4-methylphenyl)sulfonylamino]dodec-6-en-4,8-diynoate Traditional Name: (Z)-12-hydroxy-2-(tosylamino)dodec-6-en-4,8-diynoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC#CC=CC#CCCCO)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC#C/C=C\C#CCCCO)C(=O)OC

InChI

InChI=1S/C20H23NO5S/c1-17-12-14-18(15-13-17)27(24,25)21-19(20(23)26-2)11-9-7-5-3-4-6-8-10-16-22/h3,5,12-15,19,21-22H,8,10-11,16H2,1-2H3/b5-3-