methyl (E)-4-[4-methoxybut-2-ynyl-(4-methylphenyl)sulfonyl-amino]but-2-enoate

Systemtic Name: methyl (E)-4-[4-methoxybut-2-ynyl-(4-methylphenyl)sulfonyl-amino]but-2-enoate Openeye Name: methyl (E)-4-[4-methoxybut-2-ynyl(p-tolylsulfonyl)amino]but-2-enoate CAS Name: (E)-4-[4-methoxybut-2-ynyl-(4-methylphenyl)sulfonylamino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[4-methoxybut-2-ynyl-(4-methylphenyl)sulfonylamino]but-2-enoate Traditional Name: (E)-4-[4-methoxybut-2-ynyl(tosyl)amino]but-2-enoic acid methyl ester Formula: C17H21NO5S MolecularWeight: 351.41734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=CC(=O)OC)CC#CCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/C(=O)OC)CC#CCOC

InChI

InChI=1S/C17H21NO5S/c1-15-8-10-16(11-9-15)24(20,21)18(12-4-5-14-22-2)13-6-7-17(19)23-3/h6-11H,12-14H2,1-3H3/b7-6+