2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4-(1,3,4-oxadiazol-2-yl)isoindole-1,3-dione

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4-(1,3,4-oxadiazol-2-yl)isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4-(1,3,4-oxadiazol-2-yl)isoindoline-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-(1,3,4-oxadiazol-2-yl)isoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-(1,3,4-oxadiazol-2-yl)isoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-4-(1,3,4-oxadiazol-2-yl)isoindoline-1,3-quinone Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=CC=CC(=C3C2=O)C4=NN=CO4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=CC=CC(=C3C2=O)C4=NN=CO4)OC

InChI

InChI=1S/C22H21N3O7S/c1-4-31-18-10-13(8-9-17(18)30-2)16(11-33(3,28)29)25-21(26)15-7-5-6-14(19(15)22(25)27)20-24-23-12-32-20/h5-10,12,16H,4,11H2,1-3H3