ethyl 4-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H28N4O5S/c1-2-30-21(27)24-11-9-18(10-12-24)23-20(26)16-7-13-25(14-8-16)31(28,29)19-6-4-3-5-17(19)15-22/h3-6,16,18H,2,7-14H2,1H3,(H,23,26)