(phenylmethyl) 2-[(4-bromanyl-2-ethyl-phenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-bromanyl-2-ethyl-phenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: benzyl 2-[(4-bromo-2-ethyl-phenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-bromo-2-ethylphenyl)sulfonyl-methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-bromo-2-ethylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-bromo-2-ethyl-phenyl)sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(C)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H20BrNO4S/c1-3-15-11-16(19)9-10-17(15)25(22,23)20(2)12-18(21)24-13-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3