[2-[[2-[cyclohexyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[2-[cyclohexyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-keto-ethyl] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-24(17-9-3-2-4-10-17)33(30,31)20-13-6-5-12-19(20)23-21(26)15-32-22(27)16-8-7-11-18(14-16)25(28)29/h5-8,11-14,17H,2-4,9-10,15H2,1H3,(H,23,26)