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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=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(12-11-25-13-15-31-16-14-25)33(29,30)22-9-7-20(8-10-22)32-21-6-4-5-19(3)17-21/h4-10,17-18,23H,11-16H2,1-3H3,(H,27,28)