2,2-dimethyl-4-[4-[4-(oxan-2-yloxy)but-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-[4-(oxan-2-yloxy)but-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(4-tetrahydropyran-2-yloxybut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-[4-(2-oxanyloxy)but-2-ynoxy]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-[4-(oxan-2-yloxy)but-2-ynoxy]phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(4-tetrahydropyran-2-yloxybut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C22H29NO7S2 MolecularWeight: 483.59816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC3CCCCO3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOC3CCCCO3)C(=O)O)C

InChI

InChI=1S/C22H29NO7S2/c1-22(2)20(21(24)25)23(12-16-31-22)32(26,27)18-10-8-17(9-11-18)28-13-5-6-15-30-19-7-3-4-14-29-19/h8-11,19-20H,3-4,7,12-16H2,1-2H3,(H,24,25)