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

Systemtic Name: 2,2-dimethyl-4-[4-(3-propan-2-ylphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(3-isopropylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(3-propan-2-ylphenyl)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(3-propan-2-ylphenyl)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 4-(4-m-cumenylphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

InChI

InChI=1S/C22H27NO4S2/c1-15(2)17-6-5-7-18(14-17)16-8-10-19(11-9-16)29(26,27)23-12-13-28-22(3,4)20(23)21(24)25/h5-11,14-15,20H,12-13H2,1-4H3,(H,24,25)