4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide Openeye Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-butanamide CAS Name: 4-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxobutanamide IUPAC Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxobutanamide Traditional Name: 4-[(2S,6S)-2,6-dimethylmorpholino]-4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C18H23N3O5S2 MolecularWeight: 425.52232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O5S2/c1-11-9-21(10-12(2)26-11)17(23)7-6-16(22)20-18-19-14-5-4-13(28(3,24)25)8-15(14)27-18/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,19,20,22)/t11-,12-/m0/s1