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

Systemtic Name: 2,2-dimethyl-4-[4-[7-(oxan-2-yloxy)hept-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(7-tetrahydropyran-2-yloxyhept-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-[7-(2-oxanyloxy)hept-2-ynoxy]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-[7-(oxan-2-yloxy)hept-2-ynoxy]phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(7-tetrahydropyran-2-yloxyhept-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C25H35NO7S2 MolecularWeight: 525.6779

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCCCCOC3CCCCO3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCCCCOC3CCCCO3)C(=O)O)C

InChI

InChI=1S/C25H35NO7S2/c1-25(2)23(24(27)28)26(15-19-34-25)35(29,30)21-13-11-20(12-14-21)31-16-7-4-3-5-8-17-32-22-10-6-9-18-33-22/h11-14,22-23H,3,5-6,8-10,15-19H2,1-2H3,(H,27,28)