4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-N-[1-(phenylsulfonyl)azepan-4-yl]butanamide

Systemtic Name: 4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-N-[1-(phenylsulfonyl)azepan-4-yl]butanamide Openeye Name: N-[1-(benzenesulfonyl)azepan-4-yl]-2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: N-[1-(benzenesulfonyl)-4-azepanyl]-4-(4-morpholinyl)-4-oxo-2-[(phenylmethyl)sulfonylmethyl]butanamide IUPAC Name: N-[1-(benzenesulfonyl)azepan-4-yl]-2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: 2-(benzylsulfonylmethyl)-N-(1-besylazepan-4-yl)-4-keto-4-morpholino-butyramide Formula: C28H37N3O7S2 MolecularWeight: 591.73928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CCN(C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O7S2/c32-27(30-16-18-38-19-17-30)20-24(22-39(34,35)21-23-8-3-1-4-9-23)28(33)29-25-10-7-14-31(15-13-25)40(36,37)26-11-5-2-6-12-26/h1-6,8-9,11-12,24-25H,7,10,13-22H2,(H,29,33)