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

Systemtic Name: 2,2-dimethyl-4-[4-(7-oxidanylhept-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(7-hydroxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(7-hydroxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(7-hydroxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(7-hydroxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C20H27NO6S2 MolecularWeight: 441.56148

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S2/c1-20(2)18(19(23)24)21(12-15-28-20)29(25,26)17-10-8-16(9-11-17)27-14-7-5-3-4-6-13-22/h8-11,18,22H,3-4,6,12-15H2,1-2H3,(H,23,24)