4-(4-but-2-ynoxyphenyl)sulfonyl-6-(carboxymethyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-(carboxymethyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-(carboxymethyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-(carboxymethyl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-(carboxymethyl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-6-(carboxymethyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H23NO7S2 MolecularWeight: 441.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)O)(C)C)CC(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)O)(C)C)CC(=O)O

InChI

InChI=1S/C19H23NO7S2/c1-4-5-10-27-13-6-8-15(9-7-13)29(25,26)20-12-14(11-16(21)22)28-19(2,3)17(20)18(23)24/h6-9,14,17H,10-12H2,1-3H3,(H,21,22)(H,23,24)