methyl 1-[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[4-(diethylsulfamoyl)anilino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C21H28N6O6S MolecularWeight: 492.54862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H28N6O6S/c1-4-26(5-2)34(31,32)17-8-6-16(7-9-17)24-19-18(27(29)30)20(23-14-22-19)25-12-10-15(11-13-25)21(28)33-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,23,24)