N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide

Systemtic Name: N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)acetamide CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)acetamide IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)acetamide Formula: C29H31N5O4S MolecularWeight: 545.65254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C(=NC=C3)N)NC(=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C(=NC=C3)N)NC(=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H31N5O4S/c30-28-25-11-8-20(16-23(25)12-13-31-28)17-26(29(36)34-14-4-1-5-15-34)33-27(35)19-32-39(37,38)24-10-9-21-6-2-3-7-22(21)18-24/h2-3,6-13,16,18,26,32H,1,4-5,14-15,17,19H2,(H2,30,31)(H,33,35)