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

Systemtic Name: N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(sulfonylamino)ethanamide; naphthalene; hydrochloride Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(sulfonylamino)acetamide; naphthalene; hydrochloride CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(sulfonylamino)acetamide; naphthalene; hydrochloride IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(sulfonylamino)acetamide; naphthalene; hydrochloride Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]-2-(sulfonylamino)acetamide; naphthalene; hydrochloride Formula: C29H32ClN5O4S MolecularWeight: 582.11348

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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.C1=CC=C2C=CC=CC2=C1.Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C(=NC=C3)N)NC(=O)CN=S(=O)=O.C1=CC=C2C=CC=CC2=C1.Cl

InChI

InChI=1S/C19H23N5O4S.C10H8.ClH/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;1-2-6-10-8-4-3-7-9(10)5-1;/h4-7,10,16H,1-3,8-9,11-12H2,(H2,20,21)(H,23,25);1-8H;1H