tert-butyl 2,2-dimethyl-4-[4-[7-(oxan-2-yloxy)hept-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl 2,2-dimethyl-4-[4-[7-(oxan-2-yloxy)hept-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 2,2-dimethyl-4-[4-(7-tetrahydropyran-2-yloxyhept-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate CAS Name: 2,2-dimethyl-4-[4-[7-(2-oxanyloxy)hept-2-ynoxy]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,2-dimethyl-4-[4-[7-(oxan-2-yloxy)hept-2-ynoxy]phenyl]sulfonylthiomorpholine-3-carboxylate Traditional Name: 2,2-dimethyl-4-[4-(7-tetrahydropyran-2-yloxyhept-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C29H43NO7S2 MolecularWeight: 581.78422

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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)OC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H43NO7S2/c1-28(2,3)37-27(31)26-29(4,5)38-22-18-30(26)39(32,33)24-16-14-23(15-17-24)34-19-10-7-6-8-11-20-35-25-13-9-12-21-36-25/h14-17,25-26H,6,8-9,11-13,18-22H2,1-5H3