[4-(1,3-dithiolan-2-yl)phenyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H21NO5S3 MolecularWeight: 451.57944

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H21NO5S3/c22-19(26-17-6-4-15(5-7-17)20-27-12-13-28-20)16-2-1-3-18(14-16)29(23,24)21-8-10-25-11-9-21/h1-7,14,20H,8-13H2