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

Systemtic Name: 2,2-dimethyl-4-[4-(4-methylsulfonylphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(4-methylsulfonylphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(4-methylsulfonylphenyl)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(4-methylsulfonylphenyl)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-mesylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C20H23NO6S3 MolecularWeight: 469.59472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S3/c1-20(2)18(19(22)23)21(12-13-28-20)30(26,27)17-10-6-15(7-11-17)14-4-8-16(9-5-14)29(3,24)25/h4-11,18H,12-13H2,1-3H3,(H,22,23)