ethyl 4-[[4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]propanoylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-[(6-methoxy-3-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(6-methoxy-3-nitropyridin-2-yl)sulfanylpropanoylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[2-[(6-methoxy-3-nitro-2-pyridyl)thio]propanoylamino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H34N6O7S MolecularWeight: 538.61706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C(C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C(C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H34N6O7S/c1-4-36-22(32)28-13-7-16(8-14-28)25-21(31)23(9-11-24-12-10-23)27-19(30)15(2)37-20-17(29(33)34)5-6-18(26-20)35-3/h5-6,15-16,24H,4,7-14H2,1-3H3,(H,25,31)(H,27,30)