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

Systemtic Name: [2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C17H17ClN4O7S MolecularWeight: 456.85748

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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)N)[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)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O7S/c1-21(2)30(27,28)15-8-11(4-5-12(15)18)20-16(23)9-29-17(24)10-3-6-13(19)14(7-10)22(25)26/h3-8H,9,19H2,1-2H3,(H,20,23)