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

Systemtic Name: 2,2-dimethyl-4-[4-(4-phenylmethoxybut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(4-benzyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(4-phenylmethoxybut-2-ynoxy)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(4-phenylmethoxybut-2-ynoxy)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-benzoxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C24H27NO6S2 MolecularWeight: 489.60428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOCC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C24H27NO6S2/c1-24(2)22(23(26)27)25(14-17-32-24)33(28,29)21-12-10-20(11-13-21)31-16-7-6-15-30-18-19-8-4-3-5-9-19/h3-5,8-13,22H,14-18H2,1-2H3,(H,26,27)