methyl 2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanoate

Systemtic Name: methyl 2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanoate Openeye Name: methyl 2-[5-isoquinolylsulfonyl(methyl)amino]acetate CAS Name: 2-[5-isoquinolinylsulfonyl(methyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetate Traditional Name: 2-[5-isoquinolylsulfonyl(methyl)amino]acetic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CN(CC(=O)OC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C13H14N2O4S/c1-15(9-13(16)19-2)20(17,18)12-5-3-4-10-8-14-7-6-11(10)12/h3-8H,9H2,1-2H3