(2-nitrophenyl)methyl 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 1-[(1-methylsulfonyl-4-piperidyl)carbamoyl]piperidine-4-carboxylate CAS Name: 1-[[(1-methylsulfonyl-4-piperidinyl)amino]-oxomethyl]-4-piperidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate Traditional Name: 1-[(1-mesyl-4-piperidyl)carbamoyl]isonipecotic acid (2-nitrobenzyl) ester Formula: C20H28N4O7S MolecularWeight: 468.52392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O7S/c1-32(29,30)23-12-8-17(9-13-23)21-20(26)22-10-6-15(7-11-22)19(25)31-14-16-4-2-3-5-18(16)24(27)28/h2-5,15,17H,6-14H2,1H3,(H,21,26)