tert-butyl 2-[2-(2-methylphenyl)ethynyl-(phenylsulfonyl)amino]propanoate

Systemtic Name: tert-butyl 2-[2-(2-methylphenyl)ethynyl-(phenylsulfonyl)amino]propanoate Openeye Name: tert-butyl 2-[benzenesulfonyl-[2-(o-tolyl)ethynyl]amino]propanoate CAS Name: 2-[benzenesulfonyl-[2-(2-methylphenyl)ethynyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[benzenesulfonyl-[2-(2-methylphenyl)ethynyl]amino]propanoate Traditional Name: 2-[besyl-[2-(o-tolyl)ethynyl]amino]propionic acid tert-butyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CN(C(C)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C#CN(C(C)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S/c1-17-11-9-10-12-19(17)15-16-23(18(2)21(24)27-22(3,4)5)28(25,26)20-13-7-6-8-14-20/h6-14,18H,1-5H3