ethyl 4-[[4-[(2-nitrophenyl)methylsulfonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(2-nitrophenyl)methylsulfonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(2-nitrophenyl)methylsulfonylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[(2-nitrophenyl)methylsulfonylamino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(2-nitrophenyl)methylsulfonylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(2-nitrobenzyl)sulfonylamino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N5O7S MolecularWeight: 497.56514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O7S/c1-2-33-20(28)25-13-7-17(8-14-25)23-19(27)21(9-11-22-12-10-21)24-34(31,32)15-16-5-3-4-6-18(16)26(29)30/h3-6,17,22,24H,2,7-15H2,1H3,(H,23,27)