3-(1-azanylisoquinolin-6-yl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(1-azanylisoquinolin-6-yl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(1-amino-6-isoquinolyl)-2-(2-naphthylsulfonylamino)propanoic acid CAS Name: 3-(1-amino-6-isoquinolinyl)-2-(2-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-(1-aminoisoquinolin-6-yl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(1-amino-6-isoquinolyl)-2-(2-naphthylsulfonylamino)propionic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC4=C(C=C3)C(=NC=C4)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC4=C(C=C3)C(=NC=C4)N)C(=O)O

InChI

InChI=1S/C22H19N3O4S/c23-21-19-8-5-14(11-17(19)9-10-24-21)12-20(22(26)27)25-30(28,29)18-7-6-15-3-1-2-4-16(15)13-18/h1-11,13,20,25H,12H2,(H2,23,24)(H,26,27)