2-[4-[(2R)-2-[(1-azanylisoquinolin-7-yl)oxymethyl]pyrrolidin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 2-[4-[(2R)-2-[(1-azanylisoquinolin-7-yl)oxymethyl]pyrrolidin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 2-[4-[(2R)-2-[(1-amino-7-isoquinolyl)oxymethyl]pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 2-[4-[[(2R)-2-[(1-amino-7-isoquinolinyl)oxymethyl]-1-pyrrolidinyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[(2R)-2-[(1-aminoisoquinolin-7-yl)oxymethyl]pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 2-[4-[(2R)-2-[(1-amino-7-isoquinolyl)oxymethyl]pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)COC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)COC4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C27H26N4O4S/c28-26-24-16-22(12-11-19(24)13-14-30-26)35-17-21-4-3-15-31(21)27(32)20-9-7-18(8-10-20)23-5-1-2-6-25(23)36(29,33)34/h1-2,5-14,16,21H,3-4,15,17H2,(H2,28,30)(H2,29,33,34)/t21-/m1/s1