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2,2-dimethyl-3-(4-pyridin-4-ylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

2,2-dimethyl-3-(4-pyridin-4-ylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name:2,2-dimethyl-3-(4-pyridin-4-ylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid
Openeye Name:2,2-dimethyl-3-[4-(4-pyridyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid
CAS Name:2,2-dimethyl-3-(4-pyridin-4-ylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid
IUPAC Name:2,2-dimethyl-3-(4-pyridin-4-ylphenyl)sulfonylthiomorpholine-3-carboxylic acid
Traditional Name:2,2-dimethyl-3-[4-(4-pyridyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid
Formula: C18H20N2O4S2
MolecularWeight: 392.4924
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NCCS1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3)C


Isomeric SMILES

CC1(C(NCCS1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3)C


InChI

InChI=1S/C18H20N2O4S2/c1-17(2)18(16(21)22,20-11-12-25-17)26(23,24)15-5-3-13(4-6-15)14-7-9-19-10-8-14/h3-10,20H,11-12H2,1-2H3,(H,21,22)


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