3-[4-[methyl(thiolan-3-yl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[methyl(thiolan-3-yl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[methyl(3-thiolanyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[methyl(thiolan-3-yl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]phenyl]propionic acid Formula: C14H19NO4S2 MolecularWeight: 329.43496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CN(C1CCSC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C14H19NO4S2/c1-15(12-8-9-20-10-12)21(18,19)13-5-2-11(3-6-13)4-7-14(16)17/h2-3,5-6,12H,4,7-10H2,1H3,(H,16,17)