methyl 2-(isoquinolin-5-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: methyl 2-(isoquinolin-5-ylsulfonylamino)-3-methyl-butanoate Openeye Name: methyl 2-(5-isoquinolylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(5-isoquinolinylsulfonylamino)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(isoquinolin-5-ylsulfonylamino)-3-methylbutanoate Traditional Name: 2-(5-isoquinolylsulfonylamino)-3-methyl-butyric acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C15H18N2O4S/c1-10(2)14(15(18)21-3)17-22(19,20)13-6-4-5-11-9-16-8-7-12(11)13/h4-10,14,17H,1-3H3