4-morpholin-4-yl-4-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]carbamoyl]butane-1-sulfinate

Systemtic Name: 4-morpholin-4-yl-4-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]carbamoyl]butane-1-sulfinate Openeye Name: 4-morpholino-4-oxo-2-[[(1S)-1-(3-phenyl-1,2,4-oxadiazole-5-carbonyl)propyl]carbamoyl]butane-1-sulfinate CAS Name: 4-(4-morpholinyl)-4-oxo-2-[oxo-[[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]amino]methyl]-1-butanesulfinate IUPAC Name: 4-morpholin-4-yl-4-oxo-2-[[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]carbamoyl]butane-1-sulfinate Traditional Name: 4-keto-4-morpholino-2-[[(1S)-1-(3-phenyl-1,2,4-oxadiazole-5-carbonyl)propyl]carbamoyl]butane-1-sulfinate Formula: C21H25N4O7S- MolecularWeight: 477.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)[O-]

Isomeric SMILES

CC[C@@H](C(=O)C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)[O-]

InChI

InChI=1S/C21H26N4O7S/c1-2-16(18(27)21-23-19(24-32-21)14-6-4-3-5-7-14)22-20(28)15(13-33(29)30)12-17(26)25-8-10-31-11-9-25/h3-7,15-16H,2,8-13H2,1H3,(H,22,28)(H,29,30)/p-1/t15?,16-/m0/s1