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

Systemtic Name: 4-[4-(3-cyanophenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(3-cyanophenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(3-cyanophenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(3-cyanophenyl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(3-cyanophenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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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(=C3)C#N)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-20(2)18(19(23)24)22(10-11-27-20)28(25,26)17-8-6-15(7-9-17)16-5-3-4-14(12-16)13-21/h3-9,12,18H,10-11H2,1-2H3,(H,23,24)