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

Systemtic Name: (3-chlorophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (3-chlorophenyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (3-chlorobenzyl) ester Formula: C16H15ClN2O6S2 MolecularWeight: 430.8831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O6S2/c1-26-15-6-5-13(8-14(15)19(21)22)27(23,24)18-9-16(20)25-10-11-3-2-4-12(17)7-11/h2-8,18H,9-10H2,1H3