ethyl 2-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)ethanoate Openeye Name: ethyl 2-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]acetate CAS Name: 2-[4-(5-isoquinolinylsulfonyl)-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)acetate Traditional Name: 2-[4-(5-isoquinolylsulfonyl)piperazino]acetic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H21N3O4S/c1-2-24-17(21)13-19-8-10-20(11-9-19)25(22,23)16-5-3-4-14-12-18-7-6-15(14)16/h3-7,12H,2,8-11,13H2,1H3