tert-butyl N-[3-(isoquinolin-5-ylsulfonylamino)cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[3-(isoquinolin-5-ylsulfonylamino)cyclohexyl]carbamate Openeye Name: tert-butyl N-[3-(5-isoquinolylsulfonylamino)cyclohexyl]carbamate CAS Name: N-[3-(5-isoquinolinylsulfonylamino)cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(isoquinolin-5-ylsulfonylamino)cyclohexyl]carbamate Traditional Name: N-[3-(5-isoquinolylsulfonylamino)cyclohexyl]carbamic acid tert-butyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCC(C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCC(C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H27N3O4S/c1-20(2,3)27-19(24)22-15-7-5-8-16(12-15)23-28(25,26)18-9-4-6-14-13-21-11-10-17(14)18/h4,6,9-11,13,15-16,23H,5,7-8,12H2,1-3H3,(H,22,24)