ethyl 2-[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]amino]acetate CAS Name: 2-[[2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetyl]amino]acetate Traditional Name: 2-[[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]amino]acetic acid ethyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN(CCOC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCOC(=O)CNC(=O)CN(CCOC)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C18H23N3O6S/c1-3-27-18(23)12-20-17(22)13-21(9-10-26-2)28(24,25)16-6-4-5-14-11-19-8-7-15(14)16/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,20,22)