2,2-dimethyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: 2,2-dimethyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylate IUPAC Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Formula: C17H20NO6S2- MolecularWeight: 398.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)[O-])C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)[O-])C

InChI

InChI=1S/C17H21NO6S2/c1-17(2)15(16(20)21)18(9-12-25-17)26(22,23)14-7-5-13(6-8-14)24-11-4-3-10-19/h5-8,15,19H,9-12H2,1-2H3,(H,20,21)/p-1