4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-diethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-diethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-diethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-diethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-diethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-diethyl-thiomorpholine-3-carboxylic acid Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)O)CC

Isomeric SMILES

CCC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)O)CC

InChI

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