(3-morpholin-4-ylsulfonylphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H23NO5S3 MolecularWeight: 465.60602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S3/c23-20(17-4-6-18(7-5-17)21-28-12-13-29-21)27-15-16-2-1-3-19(14-16)30(24,25)22-8-10-26-11-9-22/h1-7,14,21H,8-13,15H2