[4-[(isoquinolin-5-ylsulfonylamino)methyl]cyclohexyl]methyl N-tert-butylcarbamate

Systemtic Name: [4-[(isoquinolin-5-ylsulfonylamino)methyl]cyclohexyl]methyl N-tert-butylcarbamate Openeye Name: [4-[(5-isoquinolylsulfonylamino)methyl]cyclohexyl]methyl N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [4-[(5-isoquinolinylsulfonylamino)methyl]cyclohexyl]methyl ester IUPAC Name: [4-[(isoquinolin-5-ylsulfonylamino)methyl]cyclohexyl]methyl N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [4-[(5-isoquinolylsulfonylamino)methyl]cyclohexyl]methyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)OCC1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)NC(=O)OCC1CCC(CC1)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H31N3O4S/c1-22(2,3)25-21(26)29-15-17-9-7-16(8-10-17)13-24-30(27,28)20-6-4-5-18-14-23-12-11-19(18)20/h4-6,11-12,14,16-17,24H,7-10,13,15H2,1-3H3,(H,25,26)