tert-butyl 2,2-dimethyl-4-[4-(7-oxidanylhept-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl 2,2-dimethyl-4-[4-(7-oxidanylhept-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 4-[4-(7-hydroxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-[4-(7-hydroxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(7-hydroxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-[4-(7-hydroxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C24H35NO6S2 MolecularWeight: 497.6678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO6S2/c1-23(2,3)31-22(27)21-24(4,5)32-18-15-25(21)33(28,29)20-13-11-19(12-14-20)30-17-10-8-6-7-9-16-26/h11-14,21,26H,6-7,9,15-18H2,1-5H3