2-[2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoyl-phenylmethoxycarbonyl-amino]ethanesulfonic acid

Systemtic Name: 2-[2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoyl-phenylmethoxycarbonyl-amino]ethanesulfonic acid Openeye Name: 2-[benzyloxycarbonyl-[2-[4-(1-oxoisoindolin-2-yl)phenyl]propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[1-oxo-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propyl]-phenylmethoxycarbonylamino]ethanesulfonic acid IUPAC Name: 2-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoyl-phenylmethoxycarbonylamino]ethanesulfonic acid Traditional Name: 2-[carbobenzoxy-[2-[4-(1-ketoisoindolin-2-yl)phenyl]propanoyl]amino]ethanesulfonic acid Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)N(CCS(=O)(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)N(CCS(=O)(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O7S/c1-19(21-11-13-23(14-12-21)29-17-22-9-5-6-10-24(22)26(29)31)25(30)28(15-16-37(33,34)35)27(32)36-18-20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3,(H,33,34,35)