[1-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]-2-(phenylmethoxycarbonylamino)ethyl]sulfonyl propanoate

Systemtic Name: [1-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]-2-(phenylmethoxycarbonylamino)ethyl]sulfonyl propanoate Openeye Name: [2-(benzyloxycarbonylamino)-1-[4-(1-oxoisoindolin-2-yl)phenyl]ethyl]sulfonyl propanoate CAS Name: propanoic acid [1-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-(phenylmethoxycarbonylamino)ethyl]sulfonyl ester IUPAC Name: [1-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-(phenylmethoxycarbonylamino)ethyl]sulfonyl propanoate Traditional Name: propionic acid [2-(benzyloxycarbonylamino)-1-[4-(1-ketoisoindolin-2-yl)phenyl]ethyl]sulfonyl ester Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OS(=O)(=O)C(CNC(=O)OCC1=CC=CC=C1)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCC(=O)OS(=O)(=O)C(CNC(=O)OCC1=CC=CC=C1)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C27H26N2O7S/c1-2-25(30)36-37(33,34)24(16-28-27(32)35-18-19-8-4-3-5-9-19)20-12-14-22(15-13-20)29-17-21-10-6-7-11-23(21)26(29)31/h3-15,24H,2,16-18H2,1H3,(H,28,32)