N-[3-(1-azanylisoquinolin-7-yl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-7-methoxy-naphthalene-2-sulfonamide

Systemtic Name: N-[3-(1-azanylisoquinolin-7-yl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-7-methoxy-naphthalene-2-sulfonamide Openeye Name: N-[1-[(1-amino-7-isoquinolyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-7-methoxy-naphthalene-2-sulfonamide CAS Name: N-[3-(1-amino-7-isoquinolinyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-7-methoxy-2-naphthalenesulfonamide IUPAC Name: N-[3-(1-aminoisoquinolin-7-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-7-methoxynaphthalene-2-sulfonamide Traditional Name: N-[1-[(1-amino-7-isoquinolyl)methyl]-2-keto-2-(4-methylpiperidino)ethyl]-7-methoxy-naphthalene-2-sulfonamide Formula: C29H32N4O4S MolecularWeight: 532.65378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C=CN=C3N)NS(=O)(=O)C4=CC5=C(C=CC(=C5)OC)C=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C=CN=C3N)NS(=O)(=O)C4=CC5=C(C=CC(=C5)OC)C=C4

InChI

InChI=1S/C29H32N4O4S/c1-19-10-13-33(14-11-19)29(34)27(16-20-3-4-22-9-12-31-28(30)26(22)15-20)32-38(35,36)25-8-6-21-5-7-24(37-2)17-23(21)18-25/h3-9,12,15,17-19,27,32H,10-11,13-14,16H2,1-2H3,(H2,30,31)