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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[2-(4-chlorophenyl)ethyl]-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-[2-(4-chlorophenyl)ethyl]-2-(1-ketoisoindolin-2-yl)propionamide Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1C(CS(=O)(=O)CC3=CC=CC=C3)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1C(CS(=O)(=O)CC3=CC=CC=C3)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN2O4S/c27-22-12-10-19(11-13-22)14-15-28-25(30)24(18-34(32,33)17-20-6-2-1-3-7-20)29-16-21-8-4-5-9-23(21)26(29)31/h1-13,24H,14-18H2,(H,28,30)