4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]butanamide

Systemtic Name: 4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]butanamide Openeye Name: N-[3-(4-benzyl-1-piperidyl)propyl]-4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: 4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)-N-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]butanamide IUPAC Name: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: N-[3-(4-benzylpiperidino)propyl]-2-(1-ketoisoindolin-2-yl)-4-mesyl-butyramide Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NCCCN1CCC(CC1)CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NCCCN1CCC(CC1)CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C28H37N3O4S/c1-36(34,35)19-14-26(31-21-24-10-5-6-11-25(24)28(31)33)27(32)29-15-7-16-30-17-12-23(13-18-30)20-22-8-3-2-4-9-22/h2-6,8-11,23,26H,7,12-21H2,1H3,(H,29,32)