2-[3-(isoquinolin-5-ylsulfonylamino)-1-phenyl-propyl]guanidine

Systemtic Name: 2-[3-(isoquinolin-5-ylsulfonylamino)-1-phenyl-propyl]guanidine Openeye Name: 2-[3-(5-isoquinolylsulfonylamino)-1-phenyl-propyl]guanidine CAS Name: 2-[3-(5-isoquinolinylsulfonylamino)-1-phenylpropyl]guanidine IUPAC Name: 2-[3-(isoquinolin-5-ylsulfonylamino)-1-phenylpropyl]guanidine Traditional Name: 2-[3-(5-isoquinolylsulfonylamino)-1-phenyl-propyl]guanidine Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)N=C(N)N

InChI

InChI=1S/C19H21N5O2S/c20-19(21)24-17(14-5-2-1-3-6-14)10-12-23-27(25,26)18-8-4-7-15-13-22-11-9-16(15)18/h1-9,11,13,17,23H,10,12H2,(H4,20,21,24)