ethyl 1-[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(diethylsulfamoyl)anilino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C22H30N6O6S MolecularWeight: 506.5752

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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-])N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C22H30N6O6S/c1-4-27(5-2)35(32,33)18-11-9-17(10-12-18)25-20-19(28(30)31)21(24-15-23-20)26-13-7-8-16(14-26)22(29)34-6-3/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,23,24,25)