(2S)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: (2S)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: (2S)-4-benzyloxy-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: (2S)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: (2S)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: (2S)-4-benzoxy-4-keto-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]butyric acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N[C@@H](CC(=O)OCC2=CC=CC=C2)C(=O)O)C)C)OC

InChI

InChI=1S/C21H25NO7S/c1-13-10-18(28-4)14(2)15(3)20(13)30(26,27)22-17(21(24)25)11-19(23)29-12-16-8-6-5-7-9-16/h5-10,17,22H,11-12H2,1-4H3,(H,24,25)/t17-/m0/s1