4-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(5-isoquinolylsulfonylamino)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(5-isoquinolinylsulfonylamino)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(5-isoquinolylsulfonylamino)ethylamino]-4-keto-butyric acid Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC(=O)CCC(=O)O

InChI

InChI=1S/C15H17N3O5S/c19-14(4-5-15(20)21)17-8-9-18-24(22,23)13-3-1-2-11-10-16-7-6-12(11)13/h1-3,6-7,10,18H,4-5,8-9H2,(H,17,19)(H,20,21)