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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid 2-phthalimidoethyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O7S/c1-14(25)23-15-6-8-16(9-7-15)32(29,30)22-11-10-19(26)31-13-12-24-20(27)17-4-2-3-5-18(17)21(24)28/h2-9,22H,10-13H2,1H3,(H,23,25)