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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[(4-chlorophenyl)methyl]-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[(4-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-chlorobenzyl)-2-(1-ketoisoindolin-2-yl)propionamide Formula: C25H23ClN2O4S MolecularWeight: 482.97912

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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)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1C(CS(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN2O4S/c26-21-12-10-18(11-13-21)14-27-24(29)23(17-33(31,32)16-19-6-2-1-3-7-19)28-15-20-8-4-5-9-22(20)25(28)30/h1-13,23H,14-17H2,(H,27,29)