1-[methoxycarbonyl(phenyl)amino]but-3-yn-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-[methoxycarbonyl(phenyl)amino]but-3-yn-2-yl 4-methylbenzenesulfonate Openeye Name: 1-[(N-methoxycarbonylanilino)methyl]prop-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(N-methoxycarbonylanilino)but-3-yn-2-yl ester IUPAC Name: 1-(N-methoxycarbonylanilino)but-3-yn-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[(N-carbomethoxyanilino)methyl]prop-2-ynyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-4-17(25-26(22,23)18-12-10-15(2)11-13-18)14-20(19(21)24-3)16-8-6-5-7-9-16/h1,5-13,17H,14H2,2-3H3