(phenylmethyl) 2-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: benzyl 2-[(5-bromo-2-methoxy-phenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CN(CC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H18BrNO5S/c1-19(11-17(20)24-12-13-6-4-3-5-7-13)25(21,22)16-10-14(18)8-9-15(16)23-2/h3-10H,11-12H2,1-2H3