methyl 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: methyl 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: methyl 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate CAS Name: 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylthiomorpholine-3-carboxylate Traditional Name: 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C23H25NO5S2 MolecularWeight: 459.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C23H25NO5S2/c1-23(2)21(22(25)28-3)24(15-17-30-23)31(26,27)20-13-11-19(12-14-20)29-16-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,21H,15-17H2,1-3H3