[4-(1,3-dithiolan-2-yl)phenyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 3-(2,6-dimethylmorpholino)sulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H25NO5S3 MolecularWeight: 479.6326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H25NO5S3/c1-15-13-23(14-16(2)27-15)31(25,26)20-5-3-4-18(12-20)21(24)28-19-8-6-17(7-9-19)22-29-10-11-30-22/h3-9,12,15-16,22H,10-11,13-14H2,1-2H3