3-(1-azanylisoquinolin-6-yl)-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-(1-azanylisoquinolin-6-yl)-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]propanoic acid Openeye Name: 3-(1-amino-6-isoquinolyl)-2-[(7-methoxy-2-naphthyl)sulfonylamino]propanoic acid CAS Name: 3-(1-amino-6-isoquinolinyl)-2-[(7-methoxy-2-naphthalenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(1-aminoisoquinolin-6-yl)-2-[(7-methoxynaphthalen-2-yl)sulfonylamino]propanoic acid Traditional Name: 3-(1-amino-6-isoquinolyl)-2-[(7-methoxy-2-naphthyl)sulfonylamino]propionic acid Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC(CC3=CC4=C(C=C3)C(=NC=C4)N)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC(CC3=CC4=C(C=C3)C(=NC=C4)N)C(=O)O

InChI

InChI=1S/C23H21N3O5S/c1-31-18-5-3-15-4-6-19(13-17(15)12-18)32(29,30)26-21(23(27)28)11-14-2-7-20-16(10-14)8-9-25-22(20)24/h2-10,12-13,21,26H,11H2,1H3,(H2,24,25)(H,27,28)