3-methyl-2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanoic acid Openeye Name: 3-methyl-2-[2-morpholinoethyl-[4-(p-tolylsulfanyl)phenyl]sulfonyl-amino]butanoic acid CAS Name: 3-methyl-2-[[4-[(4-methylphenyl)thio]phenyl]sulfonyl-[2-(4-morpholinyl)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(4-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanoic acid Traditional Name: 3-methyl-2-[2-morpholinoethyl-[4-(p-tolylthio)phenyl]sulfonyl-amino]butyric acid Formula: C24H32N2O5S2 MolecularWeight: 492.65128

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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)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O5S2/c1-18(2)23(24(27)28)26(13-12-25-14-16-31-17-15-25)33(29,30)22-10-8-21(9-11-22)32-20-6-4-19(3)5-7-20/h4-11,18,23H,12-17H2,1-3H3,(H,27,28)