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

Systemtic Name: 3-methyl-2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]butanoic acid Openeye Name: 3-methyl-2-[2-morpholinoethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]butanoic acid CAS Name: 3-methyl-2-[2-(4-morpholinyl)ethyl-[4-(phenylthio)phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[2-morpholinoethyl-[4-(phenylthio)phenyl]sulfonyl-amino]butyric acid Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)N(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O5S2/c1-18(2)22(23(26)27)25(13-12-24-14-16-30-17-15-24)32(28,29)21-10-8-20(9-11-21)31-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3,(H,26,27)