(2-benzamido-2-oxidanylidene-ethyl) 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: (2-benzamido-2-oxo-ethyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN2O7S/c1-14-11-25(12-15(2)32-14)33(29,30)19-10-17(8-9-18(19)23)22(28)31-13-20(26)24-21(27)16-6-4-3-5-7-16/h3-10,14-15H,11-13H2,1-2H3,(H,24,26,27)