2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-1-nitro-guanidine

Systemtic Name: 2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-1-nitro-guanidine Openeye Name: 2-[2-(5-isoquinolylsulfonylamino)ethyl]-1-nitro-guanidine CAS Name: 2-[2-(5-isoquinolinylsulfonylamino)ethyl]-1-nitroguanidine IUPAC Name: 2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-1-nitroguanidine Traditional Name: 2-[2-(5-isoquinolylsulfonylamino)ethyl]-1-nitro-guanidine Formula: C12H14N6O4S MolecularWeight: 338.34236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O4S/c13-12(17-18(19)20)15-6-7-16-23(21,22)11-3-1-2-9-8-14-5-4-10(9)11/h1-5,8,16H,6-7H2,(H3,13,15,17)