tert-butyl 2-[2-(4-methoxyphenyl)ethynyl-(phenylsulfonyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[2-(4-methoxyphenyl)ethynyl-(phenylsulfonyl)amino]ethanoate Openeye Name: tert-butyl 2-[benzenesulfonyl-[2-(4-methoxyphenyl)ethynyl]amino]acetate CAS Name: 2-[benzenesulfonyl-[2-(4-methoxyphenyl)ethynyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[benzenesulfonyl-[2-(4-methoxyphenyl)ethynyl]amino]acetate Traditional Name: 2-[besyl-[2-(4-methoxyphenyl)ethynyl]amino]acetic acid tert-butyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C#CC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C#CC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-21(2,3)27-20(23)16-22(28(24,25)19-8-6-5-7-9-19)15-14-17-10-12-18(26-4)13-11-17/h5-13H,16H2,1-4H3