methyl 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate

Systemtic Name: methyl 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: methyl 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C19H24BrNO5S2 MolecularWeight: 490.43156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrNO5S2/c1-5-6-11-26-14-7-9-16(10-8-14)28(23,24)21-13-15(12-20)27-19(2,3)17(21)18(22)25-4/h7-10,15,17H,11-13H2,1-4H3