N-[2-[(1-azanylisoquinolin-6-yl)methylamino]-2-oxidanylidene-ethyl]-3-cyclohexyl-N-cyclopentyl-2-(ethylsulfonylamino)propanamide

Systemtic Name: N-[2-[(1-azanylisoquinolin-6-yl)methylamino]-2-oxidanylidene-ethyl]-3-cyclohexyl-N-cyclopentyl-2-(ethylsulfonylamino)propanamide Openeye Name: N-[2-[(1-amino-6-isoquinolyl)methylamino]-2-oxo-ethyl]-3-cyclohexyl-N-cyclopentyl-2-(ethylsulfonylamino)propanamide CAS Name: N-[2-[(1-amino-6-isoquinolinyl)methylamino]-2-oxoethyl]-3-cyclohexyl-N-cyclopentyl-2-(ethylsulfonylamino)propanamide IUPAC Name: N-[2-[(1-aminoisoquinolin-6-yl)methylamino]-2-oxoethyl]-3-cyclohexyl-N-cyclopentyl-2-(ethylsulfonylamino)propanamide Traditional Name: N-[2-[(1-amino-6-isoquinolyl)methylamino]-2-keto-ethyl]-3-cyclohexyl-N-cyclopentyl-2-(esylamino)propionamide Formula: C28H41N5O4S MolecularWeight: 543.72124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CC1CCCCC1)C(=O)N(CC(=O)NCC2=CC3=C(C=C2)C(=NC=C3)N)C4CCCC4

Isomeric SMILES

CCS(=O)(=O)NC(CC1CCCCC1)C(=O)N(CC(=O)NCC2=CC3=C(C=C2)C(=NC=C3)N)C4CCCC4

InChI

InChI=1S/C28H41N5O4S/c1-2-38(36,37)32-25(17-20-8-4-3-5-9-20)28(35)33(23-10-6-7-11-23)19-26(34)31-18-21-12-13-24-22(16-21)14-15-30-27(24)29/h12-16,20,23,25,32H,2-11,17-19H2,1H3,(H2,29,30)(H,31,34)