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

Systemtic Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methylamino]piperidine-1-carboxylate CAS Name: 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methylamino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-mesylphenyl)-3-pyridyl]methylamino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NCC2=CN=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NCC2=CN=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O4S/c1-23(2,3)30-22(27)26-13-11-19(12-14-26)24-15-17-5-10-21(25-16-17)18-6-8-20(9-7-18)31(4,28)29/h5-10,16,19,24H,11-15H2,1-4H3