3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-6-sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-6-sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-6-sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-6-sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-6-sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 3-(4-but-2-ynoxyphenyl)-2,2,5-trimethyl-6-sulfonyl-thiomorpholine-3-carboxylic acid Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2(C(SC(=S(=O)=O)C(N2)C)(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2(C(SC(=S(=O)=O)C(N2)C)(C)C)C(=O)O

InChI

InChI=1S/C18H21NO5S2/c1-5-6-11-24-14-9-7-13(8-10-14)18(16(20)21)17(3,4)25-15(26(22)23)12(2)19-18/h7-10,12,19H,11H2,1-4H3,(H,20,21)