4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[6-[(4-methylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[6-(4-methylsulfonylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[6-(4-methylsulfonylanilino)-5-nitro-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[6-(4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C17H19N5O7S MolecularWeight: 437.42706

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O7S/c1-30(27,28)13-4-2-11(3-5-13)20-15-14(22(25)26)16(19-10-18-15)29-12-6-8-21(9-7-12)17(23)24/h2-5,10,12H,6-9H2,1H3,(H,23,24)(H,18,19,20)