ethyl 3-[(4-bromanyl-2-ethyl-phenyl)sulfonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-bromanyl-2-ethyl-phenyl)sulfonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-(4-bromo-2-ethyl-phenyl)sulfonyl-amino]propanoate CAS Name: 3-[(4-bromo-2-ethylphenyl)sulfonyl-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-(4-bromo-2-ethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[benzyl-(4-bromo-2-ethyl-phenyl)sulfonyl-amino]propionic acid ethyl ester Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C20H24BrNO4S/c1-3-17-14-18(21)10-11-19(17)27(24,25)22(13-12-20(23)26-4-2)15-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3