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

Systemtic Name: 2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 2-[2-morpholinoethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propanoic acid CAS Name: 2-[2-(4-morpholinyl)ethyl-[4-(phenylthio)phenyl]sulfonylamino]propanoic acid IUPAC Name: 2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]propanoic acid Traditional Name: 2-[2-morpholinoethyl-[4-(phenylthio)phenyl]sulfonyl-amino]propionic acid Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-17(21(24)25)23(12-11-22-13-15-28-16-14-22)30(26,27)20-9-7-19(8-10-20)29-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,24,25)