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

Systemtic Name: methyl 2-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(4-bromo-2-ethyl-phenyl)sulfonylamino]propanoate CAS Name: 2-[(4-bromo-2-ethylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(4-bromo-2-ethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-bromo-2-ethyl-phenyl)sulfonylamino]propionic acid methyl ester Formula: C19H22BrNO4S2 MolecularWeight: 472.41628

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO4S2/c1-3-15-11-16(20)9-10-18(15)27(23,24)21-17(19(22)25-2)13-26-12-14-7-5-4-6-8-14/h4-11,17,21H,3,12-13H2,1-2H3