[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(4-chlorophenyl)thiazol-4-yl]methyl ester Formula: C18H13ClN2O6S2 MolecularWeight: 452.88862

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O6S2/c1-29(25,26)16-7-4-12(8-15(16)21(23)24)18(22)27-9-14-10-28-17(20-14)11-2-5-13(19)6-3-11/h2-8,10H,9H2,1H3