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

Systemtic Name: methyl 2,2-dimethyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: methyl 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-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C18H23NO6S2 MolecularWeight: 413.50832

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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)OC)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)OC)C

InChI

InChI=1S/C18H23NO6S2/c1-18(2)16(17(21)24-3)19(10-13-26-18)27(22,23)15-8-6-14(7-9-15)25-12-5-4-11-20/h6-9,16,20H,10-13H2,1-3H3