N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]ethanamide hydrochloride

Systemtic Name: N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]ethanamide hydrochloride Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(p-tolylsulfonylamino)acetamide hydrochloride CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]acetamide hydrochloride IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]acetamide hydrochloride Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]-2-(tosylamino)acetamide hydrochloride Formula: C26H32ClN5O4S MolecularWeight: 546.08138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC(CC2=CC3=C(C=C2)C(=NC=C3)N)C(=O)N4CCCCC4.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC(CC2=CC3=C(C=C2)C(=NC=C3)N)C(=O)N4CCCCC4.Cl

InChI

InChI=1S/C26H31N5O4S.ClH/c1-18-5-8-21(9-6-18)36(34,35)29-17-24(32)30-23(26(33)31-13-3-2-4-14-31)16-19-7-10-22-20(15-19)11-12-28-25(22)27;/h5-12,15,23,29H,2-4,13-14,16-17H2,1H3,(H2,27,28)(H,30,32);1H