ethyl 4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: ethyl 4-[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid ethyl ester Formula: C19H23N5O7S MolecularWeight: 465.48022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H23N5O7S/c1-3-30-19(25)23-10-8-14(9-11-23)31-18-16(24(26)27)17(20-12-21-18)22-13-4-6-15(7-5-13)32(2,28)29/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,21,22)