ethyl 1-[6-[(4-morpholin-4-ylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(4-morpholin-4-ylsulfonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-morpholinosulfonylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(4-morpholinylsulfonyl)anilino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-morpholin-4-ylsulfonylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-morpholinosulfonylanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H28N6O7S MolecularWeight: 520.55872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O7S/c1-2-35-22(29)16-7-9-26(10-8-16)21-19(28(30)31)20(23-15-24-21)25-17-3-5-18(6-4-17)36(32,33)27-11-13-34-14-12-27/h3-6,15-16H,2,7-14H2,1H3,(H,23,24,25)