methyl 3-(1,3-dithian-2-yl)-4-(methylsulfonylamino)benzoate

Systemtic Name: methyl 3-(1,3-dithian-2-yl)-4-(methylsulfonylamino)benzoate Openeye Name: methyl 3-(1,3-dithian-2-yl)-4-(methanesulfonamido)benzoate CAS Name: 3-(1,3-dithian-2-yl)-4-(methanesulfonamido)benzoic acid methyl ester IUPAC Name: methyl 3-(1,3-dithian-2-yl)-4-(methanesulfonamido)benzoate Traditional Name: 3-(1,3-dithian-2-yl)-4-(methanesulfonamido)benzoic acid methyl ester Formula: C13H17NO4S3 MolecularWeight: 347.47338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)C2SCCCS2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)C2SCCCS2

InChI

InChI=1S/C13H17NO4S3/c1-18-12(15)9-4-5-11(14-21(2,16)17)10(8-9)13-19-6-3-7-20-13/h4-5,8,13-14H,3,6-7H2,1-2H3