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

Systemtic Name: 2,2-dimethyl-4-[4-(2-methylsulfanylphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(2-methylsulfanylphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-[2-(methylthio)phenyl]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(2-methylsulfanylphenyl)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-[2-(methylthio)phenyl]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C20H23NO4S3 MolecularWeight: 437.59592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3SC)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3SC)C(=O)O)C

InChI

InChI=1S/C20H23NO4S3/c1-20(2)18(19(22)23)21(12-13-27-20)28(24,25)15-10-8-14(9-11-15)16-6-4-5-7-17(16)26-3/h4-11,18H,12-13H2,1-3H3,(H,22,23)