benzene; N-(1-cyanocyclopropyl)-2-(methylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide

Systemtic Name: benzene; N-(1-cyanocyclopropyl)-2-(methylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide Openeye Name: benzene; N-(1-cyanocyclopropyl)-2-(methylsulfonylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: benzene; N-(1-cyanocyclopropyl)-2-(methylsulfonylmethyl)-4-(4-morpholinyl)-4-oxobutanamide IUPAC Name: benzene; N-(1-cyanocyclopropyl)-2-(methylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: benzene; N-(1-cyanocyclopropyl)-4-keto-2-(mesylmethyl)-4-morpholino-butyramide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)NC2(CC2)C#N.C1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)NC2(CC2)C#N.C1=CC=CC=C1

InChI

InChI=1S/C14H21N3O5S.C6H6/c1-23(20,21)9-11(13(19)16-14(10-15)2-3-14)8-12(18)17-4-6-22-7-5-17;1-2-4-6-5-3-1/h11H,2-9H2,1H3,(H,16,19);1-6H