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

Systemtic Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl-propyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methyl-propyl-amino]piperidine-1-carboxylate CAS Name: 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl-propylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl-propylamino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-mesylphenyl)-3-pyridyl]methyl-propyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CN=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN(CC1=CN=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H37N3O4S/c1-6-15-29(22-13-16-28(17-14-22)25(30)33-26(2,3)4)19-20-7-12-24(27-18-20)21-8-10-23(11-9-21)34(5,31)32/h7-12,18,22H,6,13-17,19H2,1-5H3