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

Systemtic Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl-propan-2-yl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[isopropyl-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl-propan-2-ylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl-propan-2-ylamino]piperidine-1-carboxylate Traditional Name: 4-[isopropyl-[[6-(4-mesylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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