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

Systemtic Name: N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(sulfonylamino)ethanamide Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(sulfonylamino)acetamide CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(sulfonylamino)acetamide IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(sulfonylamino)acetamide Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]-2-(sulfonylamino)acetamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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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)CN=S(=O)=O

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C(=NC=C3)N)NC(=O)CN=S(=O)=O

InChI

InChI=1S/C19H23N5O4S/c20-18-15-5-4-13(10-14(15)6-7-21-18)11-16(23-17(25)12-22-29(27)28)19(26)24-8-2-1-3-9-24/h4-7,10,16H,1-3,8-9,11-12H2,(H2,20,21)(H,23,25)