N-[(4-methoxyphenyl)methyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[(4-methoxyphenyl)methyl]-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-2-(1-ketoisoindolin-2-yl)-N-p-anisyl-propionamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CS(=O)(=O)CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C(CS(=O)(=O)CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H26N2O5S/c1-33-22-13-11-19(12-14-22)15-27-25(29)24(18-34(31,32)17-20-7-3-2-4-8-20)28-16-21-9-5-6-10-23(21)26(28)30/h2-14,24H,15-18H2,1H3,(H,27,29)