2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-bis(oxidanylidene)isoindole-4-carbonitrile

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-bis(oxidanylidene)isoindole-4-carbonitrile Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-dioxo-isoindoline-4-carbonitrile CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxo-4-isoindolecarbonitrile IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindole-4-carbonitrile Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-1,3-diketo-isoindoline-4-carbonitrile Formula: C21H20N2O6S MolecularWeight: 428.4583

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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)C#N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=CC=CC(=C3C2=O)C#N)OC

InChI

InChI=1S/C21H20N2O6S/c1-4-29-18-10-13(8-9-17(18)28-2)16(12-30(3,26)27)23-20(24)15-7-5-6-14(11-22)19(15)21(23)25/h5-10,16H,4,12H2,1-3H3