3-(3,5-dimethyl-4-thiomorpholin-4-ylsulfonyl-pyrazol-1-yl)propanoic acid

Systemtic Name: 3-(3,5-dimethyl-4-thiomorpholin-4-ylsulfonyl-pyrazol-1-yl)propanoic acid Openeye Name: 3-(3,5-dimethyl-4-thiomorpholinosulfonyl-pyrazol-1-yl)propanoic acid CAS Name: 3-(3,5-dimethyl-4-thiomorpholin-4-ylsulfonyl-1-pyrazolyl)propanoic acid IUPAC Name: 3-(3,5-dimethyl-4-thiomorpholin-4-ylsulfonylpyrazol-1-yl)propanoic acid Traditional Name: 3-(3,5-dimethyl-4-thiomorpholinosulfonyl-pyrazol-1-yl)propionic acid Formula: C12H19N3O4S2 MolecularWeight: 333.42696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)N2CCSCC2

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)O)C)S(=O)(=O)N2CCSCC2

InChI

InChI=1S/C12H19N3O4S2/c1-9-12(10(2)15(13-9)4-3-11(16)17)21(18,19)14-5-7-20-8-6-14/h3-8H2,1-2H3,(H,16,17)