tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl-(oxolan-2-ylmethyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl-(oxolan-2-ylmethyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methyl-(tetrahydrofuran-2-ylmethyl)amino]piperidine-1-carboxylate CAS Name: 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl-(2-oxolanylmethyl)amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl-(oxolan-2-ylmethyl)amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-mesylphenyl)-3-pyridyl]methyl-(tetrahydrofurfuryl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H39N3O5S MolecularWeight: 529.69136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CC2CCCO2)CC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CC2CCCO2)CC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H39N3O5S/c1-28(2,3)36-27(32)30-15-13-23(14-16-30)31(20-24-6-5-17-35-24)19-21-7-12-26(29-18-21)22-8-10-25(11-9-22)37(4,33)34/h7-12,18,23-24H,5-6,13-17,19-20H2,1-4H3