[2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C18H18ClN3O8S MolecularWeight: 471.86882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O8S/c1-21(2)31(27,28)16-9-12(5-6-13(16)19)20-17(23)10-30-18(24)11-4-7-15(29-3)14(8-11)22(25)26/h4-9H,10H2,1-3H3,(H,20,23)