ethyl 2-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-bromo-2-ethyl-phenyl)sulfonylamino]propanoate CAS Name: 2-[(4-bromo-2-ethylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-bromo-2-ethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-bromo-2-ethyl-phenyl)sulfonylamino]propionic acid ethyl ester Formula: C20H24BrNO4S2 MolecularWeight: 486.44286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H24BrNO4S2/c1-3-16-12-17(21)10-11-19(16)28(24,25)22-18(20(23)26-4-2)14-27-13-15-8-6-5-7-9-15/h5-12,18,22H,3-4,13-14H2,1-2H3