tert-butyl 4-[cyanomethyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[cyanomethyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[cyanomethyl-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[cyanomethyl-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyanomethyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[cyanomethyl-[[6-(4-mesylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CC#N)CC2=CN=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CC#N)CC2=CN=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H32N4O4S/c1-25(2,3)33-24(30)28-14-11-21(12-15-28)29(16-13-26)18-19-5-10-23(27-17-19)20-6-8-22(9-7-20)34(4,31)32/h5-10,17,21H,11-12,14-16,18H2,1-4H3