(4-bromophenyl)methyl 2-[2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]ethanoylamino]ethanoate

Systemtic Name: (4-bromophenyl)methyl 2-[2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]ethanoylamino]ethanoate Openeye Name: (4-bromophenyl)methyl 2-[[2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]acetyl]amino]acetate CAS Name: 2-[[2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[[2-[(4-methoxy-2-nitrophenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]acetyl]amino]acetic acid (4-bromobenzyl) ester Formula: C18H18BrN3O8S MolecularWeight: 516.31982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O8S/c1-29-14-6-7-16(15(8-14)22(25)26)31(27,28)21-9-17(23)20-10-18(24)30-11-12-2-4-13(19)5-3-12/h2-8,21H,9-11H2,1H3,(H,20,23)