2,2-dimethyl-4-[4-[5-(oxan-2-yloxy)pent-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-[5-(oxan-2-yloxy)pent-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(5-tetrahydropyran-2-yloxypent-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-[5-(2-oxanyloxy)pent-2-ynoxy]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-[5-(oxan-2-yloxy)pent-2-ynoxy]phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(5-tetrahydropyran-2-yloxypent-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C23H31NO7S2 MolecularWeight: 497.62474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCCOC3CCCCO3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCCOC3CCCCO3)C(=O)O)C

InChI

InChI=1S/C23H31NO7S2/c1-23(2)21(22(25)26)24(13-17-32-23)33(27,28)19-11-9-18(10-12-19)29-14-5-3-6-15-30-20-8-4-7-16-31-20/h9-12,20-21H,4,6-8,13-17H2,1-2H3,(H,25,26)