methyl 2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: methyl 2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-thiomorpholine-3-carboxylate Openeye Name: methyl 2,2-dimethyl-4-[4-(4-pyridyloxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate CAS Name: 2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxylate Traditional Name: 2,2-dimethyl-4-[4-(4-pyridyloxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)OC)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)OC)C

InChI

InChI=1S/C19H22N2O5S2/c1-19(2)17(18(22)25-3)21(12-13-27-19)28(23,24)16-6-4-14(5-7-16)26-15-8-10-20-11-9-15/h4-11,17H,12-13H2,1-3H3