5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pentanoate

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pentanoate Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pentanoate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pentanoate IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)pentanoate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)valerate Formula: C14H18NO4S- MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCCC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCCC(=O)[O-]

InChI

InChI=1S/C14H19NO4S/c16-14(17)7-3-4-10-20(18,19)15-9-8-12-5-1-2-6-13(12)11-15/h1-2,5-6H,3-4,7-11H2,(H,16,17)/p-1