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

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

Systemtic Name:4-[4-(4-ethylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid
Openeye Name:4-[4-(4-ethylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid
CAS Name:4-[4-(4-ethylphenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid
IUPAC Name:4-[4-(4-ethylphenyl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid
Traditional Name:4-[4-(4-ethylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid
Formula: C21H25NO4S2
MolecularWeight: 419.5575
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C


Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C


InChI

InChI=1S/C21H25NO4S2/c1-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)28(25,26)22-13-14-27-21(2,3)19(22)20(23)24/h5-12,19H,4,13-14H2,1-3H3,(H,23,24)


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