tert-butyl 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylate CAS Name: 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonylthiomorpholine-3-carboxylate Traditional Name: 2,2-dimethyl-4-(4-propargyloxyphenyl)sulfonyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5S2/c1-7-13-25-15-8-10-16(11-9-15)28(23,24)21-12-14-27-20(5,6)17(21)18(22)26-19(2,3)4/h1,8-11,17H,12-14H2,2-6H3