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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H23NO6S3 MolecularWeight: 481.60542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S3/c1-26-19-7-6-17(31(24,25)22-8-10-27-11-9-22)14-18(19)20(23)28-16-4-2-15(3-5-16)21-29-12-13-30-21/h2-7,14,21H,8-13H2,1H3