methyl 5-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)pentanoate

Systemtic Name: methyl 5-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)pentanoate Openeye Name: methyl 5-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]pentanoate CAS Name: 5-[4-(5-isoquinolinylsulfonyl)-1-piperazinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)pentanoate Traditional Name: 5-[4-(5-isoquinolylsulfonyl)piperazino]valeric acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COC(=O)CCCCN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H25N3O4S/c1-26-19(23)7-2-3-10-21-11-13-22(14-12-21)27(24,25)18-6-4-5-16-15-20-9-8-17(16)18/h4-6,8-9,15H,2-3,7,10-14H2,1H3