ethyl 2-(1-isoquinolin-5-ylsulfonyl-5-oxidanylidene-piperazin-2-yl)ethanoate

Systemtic Name: ethyl 2-(1-isoquinolin-5-ylsulfonyl-5-oxidanylidene-piperazin-2-yl)ethanoate Openeye Name: ethyl 2-[1-(5-isoquinolylsulfonyl)-5-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(5-isoquinolinylsulfonyl)-5-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-isoquinolin-5-ylsulfonyl-5-oxopiperazin-2-yl)acetate Traditional Name: 2-[1-(5-isoquinolylsulfonyl)-5-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CNC(=O)CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)CC1CNC(=O)CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H19N3O5S/c1-2-25-17(22)8-13-10-19-16(21)11-20(13)26(23,24)15-5-3-4-12-9-18-7-6-14(12)15/h3-7,9,13H,2,8,10-11H2,1H3,(H,19,21)