[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H25NO7S3 MolecularWeight: 511.6314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C22H25NO7S3/c1-27-18-6-4-16(33(25,26)23-7-9-29-10-8-23)14-17(18)21(24)30-19-5-3-15(13-20(19)28-2)22-31-11-12-32-22/h3-6,13-14,22H,7-12H2,1-2H3