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

Systemtic Name: (phenylmethyl) 2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanoate Openeye Name: benzyl 2-[5-isoquinolylsulfonyl(methyl)amino]acetate CAS Name: 2-[5-isoquinolinylsulfonyl(methyl)amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetate Traditional Name: 2-[5-isoquinolylsulfonyl(methyl)amino]acetic acid benzyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CN(CC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H18N2O4S/c1-21(13-19(22)25-14-15-6-3-2-4-7-15)26(23,24)18-9-5-8-16-12-20-11-10-17(16)18/h2-12H,13-14H2,1H3