ethyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]propanoate CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]propionic acid ethyl ester Formula: C19H22BrNO5S2 MolecularWeight: 488.41568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H22BrNO5S2/c1-3-26-19(22)16(13-27-12-14-7-5-4-6-8-14)21-28(23,24)18-11-15(20)9-10-17(18)25-2/h4-11,16,21H,3,12-13H2,1-2H3