trimethyl (Z)-1-[[(4-methylphenyl)sulfonylamino]methyl]undec-1-en-6-yne-1,4,4-tricarboxylate

Systemtic Name: trimethyl (Z)-1-[[(4-methylphenyl)sulfonylamino]methyl]undec-1-en-6-yne-1,4,4-tricarboxylate Openeye Name: trimethyl (Z)-1-[(p-tolylsulfonylamino)methyl]undec-1-en-6-yne-1,4,4-tricarboxylate CAS Name: (Z)-1-[[(4-methylphenyl)sulfonylamino]methyl]undec-1-en-6-yne-1,4,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (Z)-1-[[(4-methylphenyl)sulfonylamino]methyl]undec-1-en-6-yne-1,4,4-tricarboxylate Traditional Name: (Z)-1-[(tosylamino)methyl]undec-1-en-6-yne-1,4,4-tricarboxylic acid trimethyl ester Formula: C25H33NO8S MolecularWeight: 507.59642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCC(CC=C(CNS(=O)(=O)C1=CC=C(C=C1)C)C(=O)OC)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC#CCC(C/C=C(/CNS(=O)(=O)C1=CC=C(C=C1)C)\C(=O)OC)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H33NO8S/c1-6-7-8-9-10-16-25(23(28)33-4,24(29)34-5)17-15-20(22(27)32-3)18-26-35(30,31)21-13-11-19(2)12-14-21/h11-15,26H,6-8,16-18H2,1-5H3/b20-15-