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

Systemtic Name: ethyl 2-[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN(CCOC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN(CCOC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C23H25N3O6S/c1-3-32-23(28)19-8-4-5-9-20(19)25-22(27)16-26(13-14-31-2)33(29,30)21-10-6-7-17-15-24-12-11-18(17)21/h4-12,15H,3,13-14,16H2,1-2H3,(H,25,27)