[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid phthalimidomethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H18N2O6S/c1-13-6-8-14(9-7-13)28(25,26)20-11-10-17(22)27-12-21-18(23)15-4-2-3-5-16(15)19(21)24/h2-9,20H,10-12H2,1H3