2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[2-(5-isoquinolylsulfonylamino)ethyl]guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[2-(5-isoquinolinylsulfonylamino)ethyl]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[2-(5-isoquinolylsulfonylamino)ethyl]guanidine; tosylic acid Formula: C19H23N5O5S2 MolecularWeight: 465.54642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N

InChI

InChI=1S/C12H15N5O2S.C7H8O3S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,8,17H,6-7H2,(H4,13,14,16);2-5H,1H3,(H,8,9,10)