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

Systemtic Name: 4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]butanamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)ethyl]-4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: 4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]butanamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)ethyl]-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: N-[2-(4-benzylpiperidino)ethyl]-2-(1-ketoisoindolin-2-yl)-4-mesyl-butyramide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NCCN1CCC(CC1)CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NCCN1CCC(CC1)CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C27H35N3O4S/c1-35(33,34)18-13-25(30-20-23-9-5-6-10-24(23)27(30)32)26(31)28-14-17-29-15-11-22(12-16-29)19-21-7-3-2-4-8-21/h2-10,22,25H,11-20H2,1H3,(H,28,31)