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7-(isoquinolin-5-ylsulfonylamino)-6-pyridin-3-yl-heptanoic acid

7-(isoquinolin-5-ylsulfonylamino)-6-pyridin-3-yl-heptanoic acid

Systemtic Name:7-(isoquinolin-5-ylsulfonylamino)-6-pyridin-3-yl-heptanoic acid
Openeye Name:7-(5-isoquinolylsulfonylamino)-6-(3-pyridyl)heptanoic acid
CAS Name:7-(5-isoquinolinylsulfonylamino)-6-(3-pyridinyl)heptanoic acid
IUPAC Name:7-(isoquinolin-5-ylsulfonylamino)-6-pyridin-3-ylheptanoic acid
Traditional Name:7-(5-isoquinolylsulfonylamino)-6-(3-pyridyl)enanthic acid
Formula: C21H23N3O4S
MolecularWeight: 413.49002
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCC(CCCCC(=O)O)C3=CN=CC=C3


Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCC(CCCCC(=O)O)C3=CN=CC=C3


InChI

InChI=1S/C21H23N3O4S/c25-21(26)9-2-1-5-17(16-7-4-11-22-13-16)15-24-29(27,28)20-8-3-6-18-14-23-12-10-19(18)20/h3-4,6-8,10-14,17,24H,1-2,5,9,15H2,(H,25,26)


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