[2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C22H28N4O8S MolecularWeight: 508.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C

InChI

InChI=1S/C22H28N4O8S/c1-4-25(5-2)35(32,33)20-12-16(7-6-15(20)3)24-21(28)14-34-22(29)18-13-17(26(30)31)8-9-19(18)23-10-11-27/h6-9,12-13,23,27H,4-5,10-11,14H2,1-3H3,(H,24,28)