4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(4-hex-4-yn-3-yloxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(1-ethylbut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C

Isomeric SMILES

CCC(C#CC)OC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C

InChI

InChI=1S/C19H25NO5S2/c1-5-7-14(6-2)25-15-8-10-16(11-9-15)27(23,24)20-12-13-26-19(3,4)17(20)18(21)22/h8-11,14,17H,6,12-13H2,1-4H3,(H,21,22)