(3-methyl-3-oxidanyl-butyl) 4-[methyl-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: (3-methyl-3-oxidanyl-butyl) 4-[methyl-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: (3-hydroxy-3-methyl-butyl) 4-[methyl-[[5-(4-methylsulfonylphenyl)-2-pyridyl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[methyl-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]amino]-1-piperidinecarboxylic acid (3-hydroxy-3-methylbutyl) ester IUPAC Name: (3-hydroxy-3-methylbutyl) 4-[methyl-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-mesylphenyl)-2-pyridyl]methyl-methyl-amino]piperidine-1-carboxylic acid (3-hydroxy-3-methyl-butyl) ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC(=O)N1CCC(CC1)N(C)CC2=NC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC(C)(CCOC(=O)N1CCC(CC1)N(C)CC2=NC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C25H35N3O5S/c1-25(2,30)13-16-33-24(29)28-14-11-22(12-15-28)27(3)18-21-8-5-20(17-26-21)19-6-9-23(10-7-19)34(4,31)32/h5-10,17,22,30H,11-16,18H2,1-4H3