(2S)-1-[4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-[(E)-3-morpholino-3-oxo-prop-1-enyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[4-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[(E)-3-keto-3-morpholino-prop-1-enyl]phenyl]sulfonylproline Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C18H22N2O6S/c21-17(19-10-12-26-13-11-19)8-5-14-3-6-15(7-4-14)27(24,25)20-9-1-2-16(20)18(22)23/h3-8,16H,1-2,9-13H2,(H,22,23)/b8-5+/t16-/m0/s1