N-[3-(1-azanylisoquinolin-6-yl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide hydrochloride

Systemtic Name: N-[3-(1-azanylisoquinolin-6-yl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide hydrochloride Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]naphthalene-2-sulfonamide hydrochloride CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-2-naphthalenesulfonamide hydrochloride IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]naphthalene-2-sulfonamide hydrochloride Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-(4-methylpiperidino)ethyl]naphthalene-2-sulfonamide hydrochloride Formula: C28H31ClN4O3S MolecularWeight: 539.08874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C(=NC=C3)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C(=NC=C3)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.Cl

InChI

InChI=1S/C28H30N4O3S.ClH/c1-19-11-14-32(15-12-19)28(33)26(17-20-6-9-25-23(16-20)10-13-30-27(25)29)31-36(34,35)24-8-7-21-4-2-3-5-22(21)18-24;/h2-10,13,16,18-19,26,31H,11-12,14-15,17H2,1H3,(H2,29,30);1H