N-[1-[(1-azanylisoquinolin-8-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide

Systemtic Name: N-[1-[(1-azanylisoquinolin-8-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide Openeye Name: N-[1-[(1-amino-8-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide CAS Name: N-[1-[(1-amino-8-isoquinolinyl)methyl]-2-oxo-3-pyrrolidinyl]-7-methoxy-2-naphthalenesulfonamide IUPAC Name: N-[1-[(1-aminoisoquinolin-8-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide Traditional Name: N-[1-[(1-amino-8-isoquinolyl)methyl]-2-keto-pyrrolidin-3-yl]-7-methoxy-naphthalene-2-sulfonamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC=CC5=C4C(=NC=C5)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC=CC5=C4C(=NC=C5)N

InChI

InChI=1S/C25H24N4O4S/c1-33-20-7-5-16-6-8-21(14-19(16)13-20)34(31,32)28-22-10-12-29(25(22)30)15-18-4-2-3-17-9-11-27-24(26)23(17)18/h2-9,11,13-14,22,28H,10,12,15H2,1H3,(H2,26,27)