methyl 4-[[(E)-2-methylbut-2-enyl]-(4-methylphenyl)sulfonyl-amino]but-2-ynoate

Systemtic Name: methyl 4-[[(E)-2-methylbut-2-enyl]-(4-methylphenyl)sulfonyl-amino]but-2-ynoate Openeye Name: methyl 4-[[(E)-2-methylbut-2-enyl]-(p-tolylsulfonyl)amino]but-2-ynoate CAS Name: 4-[[(E)-2-methylbut-2-enyl]-(4-methylphenyl)sulfonylamino]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[[(E)-2-methylbut-2-enyl]-(4-methylphenyl)sulfonylamino]but-2-ynoate Traditional Name: 4-[[(E)-2-methylbut-2-enyl]-tosyl-amino]but-2-ynoic acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)CN(CC#CC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

C/C=C(\C)/CN(CC#CC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H21NO4S/c1-5-14(2)13-18(12-6-7-17(19)22-4)23(20,21)16-10-8-15(3)9-11-16/h5,8-11H,12-13H2,1-4H3/b14-5+