[1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C21H23NO5S3 MolecularWeight: 465.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H23NO5S3/c1-14(19(23)15-8-10-18(11-9-15)22-30(2,25)26)27-20(24)16-4-6-17(7-5-16)21-28-12-3-13-29-21/h4-11,14,21-22H,3,12-13H2,1-2H3