ethyl (E)-9-[(4-methylphenyl)sulfonyl-(3-phenylprop-2-ynyl)amino]non-2-en-7-ynoate

Systemtic Name: ethyl (E)-9-[(4-methylphenyl)sulfonyl-(3-phenylprop-2-ynyl)amino]non-2-en-7-ynoate Openeye Name: ethyl (E)-9-[3-phenylprop-2-ynyl(p-tolylsulfonyl)amino]non-2-en-7-ynoate CAS Name: (E)-9-[(4-methylphenyl)sulfonyl-(3-phenylprop-2-ynyl)amino]non-2-en-7-ynoic acid ethyl ester IUPAC Name: ethyl (E)-9-[(4-methylphenyl)sulfonyl-(3-phenylprop-2-ynyl)amino]non-2-en-7-ynoate Traditional Name: (E)-9-[3-phenylprop-2-ynyl(tosyl)amino]non-2-en-7-ynoic acid ethyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCC#CCN(CC#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)/C=C/CCCC#CCN(CC#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C27H29NO4S/c1-3-32-27(29)17-11-6-4-5-7-12-22-28(23-13-16-25-14-9-8-10-15-25)33(30,31)26-20-18-24(2)19-21-26/h8-11,14-15,17-21H,3-6,22-23H2,1-2H3/b17-11+