(3-methylisoquinolin-4-yl) 6-azanyl-2-(methylsulfonylamino)hexanoate

Systemtic Name: (3-methylisoquinolin-4-yl) 6-azanyl-2-(methylsulfonylamino)hexanoate Openeye Name: (3-methyl-4-isoquinolyl) 6-amino-2-(methanesulfonamido)hexanoate CAS Name: 6-amino-2-(methanesulfonamido)hexanoic acid (3-methyl-4-isoquinolinyl) ester IUPAC Name: (3-methylisoquinolin-4-yl) 6-amino-2-(methanesulfonamido)hexanoate Traditional Name: 6-amino-2-(methanesulfonamido)hexanoic acid (3-methyl-4-isoquinolyl) ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=N1)OC(=O)C(CCCCN)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=N1)OC(=O)C(CCCCN)NS(=O)(=O)C

InChI

InChI=1S/C17H23N3O4S/c1-12-16(14-8-4-3-7-13(14)11-19-12)24-17(21)15(9-5-6-10-18)20-25(2,22)23/h3-4,7-8,11,15,20H,5-6,9-10,18H2,1-2H3