[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C16H18N2O5S/c1-12-4-6-13(7-5-12)24(21,22)18-10-8-16(20)23-11-15(19)14-3-2-9-17-14/h2-7,9,17-18H,8,10-11H2,1H3