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

Systemtic Name: 2,2-dimethyl-4-[4-(3-methylphenyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(m-tolyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(3-methylphenyl)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(3-methylphenyl)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(m-tolyl)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

InChI

InChI=1S/C20H23NO4S2/c1-14-5-4-6-16(13-14)15-7-9-17(10-8-15)27(24,25)21-11-12-26-20(2,3)18(21)19(22)23/h4-10,13,18H,11-12H2,1-3H3,(H,22,23)