2,2-dimethylpropyl 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: 2,2-dimethylpropyl 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: 2,2-dimethylpropyl 4-[methyl-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[methyl-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]amino]-1-piperidinecarboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-mesylphenyl)-3-pyridyl]methyl-methyl-amino]piperidine-1-carboxylic acid neopentyl ester Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4S/c1-25(2,3)18-32-24(29)28-14-12-21(13-15-28)27(4)17-19-6-11-23(26-16-19)20-7-9-22(10-8-20)33(5,30)31/h6-11,16,21H,12-15,17-18H2,1-5H3