1,3-benzodioxol-5-yl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H20ClNO7S/c1-12-9-22(10-13(2)28-12)30(24,25)19-7-14(3-5-16(19)21)20(23)29-15-4-6-17-18(8-15)27-11-26-17/h3-8,12-13H,9-11H2,1-2H3