2-[1-[(isoquinolin-5-ylsulfonylamino)methylsulfonyl]pyrrolidin-2-yl]pentanoic acid

Systemtic Name: 2-[1-[(isoquinolin-5-ylsulfonylamino)methylsulfonyl]pyrrolidin-2-yl]pentanoic acid Openeye Name: 2-[1-[(5-isoquinolylsulfonylamino)methylsulfonyl]pyrrolidin-2-yl]pentanoic acid CAS Name: 2-[1-[(5-isoquinolinylsulfonylamino)methylsulfonyl]-2-pyrrolidinyl]pentanoic acid IUPAC Name: 2-[1-[(isoquinolin-5-ylsulfonylamino)methylsulfonyl]pyrrolidin-2-yl]pentanoic acid Traditional Name: 2-[1-[(5-isoquinolylsulfonylamino)methylsulfonyl]pyrrolidin-2-yl]valeric acid Formula: C19H25N3O6S2 MolecularWeight: 455.5483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCCN1S(=O)(=O)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)O

Isomeric SMILES

CCCC(C1CCCN1S(=O)(=O)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)O

InChI

InChI=1S/C19H25N3O6S2/c1-2-5-16(19(23)24)17-7-4-11-22(17)29(25,26)13-21-30(27,28)18-8-3-6-14-12-20-10-9-15(14)18/h3,6,8-10,12,16-17,21H,2,4-5,7,11,13H2,1H3,(H,23,24)