2,2-dimethyl-4-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C)O

Isomeric SMILES

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C)O

InChI

InChI=1S/C19H25NO6S2/c1-4-14(21)6-5-12-26-15-7-9-16(10-8-15)28(24,25)20-11-13-27-19(2,3)17(20)18(22)23/h7-10,14,17,21H,4,11-13H2,1-3H3,(H,22,23)