tert-butyl 4-[(4-methylsulfinylisoquinolin-5-yl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylsulfinylisoquinolin-5-yl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-methylsulfinyl-5-isoquinolyl)amino]piperidine-1-carboxylate CAS Name: 4-[(4-methylsulfinyl-5-isoquinolinyl)amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylsulfinylisoquinolin-5-yl)amino]piperidine-1-carboxylate Traditional Name: 4-[(4-methylsulfinyl-5-isoquinolyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC3=CN=CC(=C32)S(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC3=CN=CC(=C32)S(=O)C

InChI

InChI=1S/C20H27N3O3S/c1-20(2,3)26-19(24)23-10-8-15(9-11-23)22-16-7-5-6-14-12-21-13-17(18(14)16)27(4)25/h5-7,12-13,15,22H,8-11H2,1-4H3