(4-bromophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (4-bromophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (4-bromophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (4-bromobenzyl) ester Formula: C16H15BrN2O6S2 MolecularWeight: 475.3341

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN2O6S2/c1-26-15-7-6-13(8-14(15)19(21)22)27(23,24)18-9-16(20)25-10-11-2-4-12(17)5-3-11/h2-8,18H,9-10H2,1H3