(phenylmethyl) 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]ethanoate Openeye Name: benzyl 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]acetate CAS Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-bromo-2-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]acetic acid benzyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16BrNO4S/c1-12-7-8-14(17)9-15(12)23(20,21)18-10-16(19)22-11-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3