methyl 3-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)propanoate

Systemtic Name: methyl 3-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)propanoate Openeye Name: methyl 3-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]propanoate CAS Name: 3-[4-(5-isoquinolinylsulfonyl)-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)propanoate Traditional Name: 3-[4-(5-isoquinolylsulfonyl)piperazino]propionic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H21N3O4S/c1-24-17(21)6-8-19-9-11-20(12-10-19)25(22,23)16-4-2-3-14-13-18-7-5-15(14)16/h2-5,7,13H,6,8-12H2,1H3