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

Systemtic Name: methyl 2,2-dimethyl-4-[4-(7-oxidanylhept-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6S2/c1-21(2)19(20(24)27-3)22(13-16-29-21)30(25,26)18-11-9-17(10-12-18)28-15-8-6-4-5-7-14-23/h9-12,19,23H,4-5,7,13-16H2,1-3H3