2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]propanoic acid

Systemtic Name: 2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]propanoic acid Openeye Name: 2-[2-morpholinoethyl-[4-(p-tolylsulfanyl)phenyl]sulfonyl-amino]propanoic acid CAS Name: 2-[[4-[(4-methylphenyl)thio]phenyl]sulfonyl-[2-(4-morpholinyl)ethyl]amino]propanoic acid IUPAC Name: 2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]propanoic acid Traditional Name: 2-[2-morpholinoethyl-[4-(p-tolylthio)phenyl]sulfonyl-amino]propionic acid Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)C(C)C(=O)O

InChI

InChI=1S/C22H28N2O5S2/c1-17-3-5-19(6-4-17)30-20-7-9-21(10-8-20)31(27,28)24(18(2)22(25)26)12-11-23-13-15-29-16-14-23/h3-10,18H,11-16H2,1-2H3,(H,25,26)