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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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