2-[1-[(1-chloranylisoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine

Systemtic Name: 2-[1-[(1-chloranylisoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine Openeye Name: 2-[1-[[(1-chloro-5-isoquinolyl)sulfonylamino]methyl]propyl]guanidine CAS Name: 2-[1-[(1-chloro-5-isoquinolinyl)sulfonylamino]butan-2-yl]guanidine IUPAC Name: 2-[1-[(1-chloroisoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine Traditional Name: 2-[1-[[(1-chloro-5-isoquinolyl)sulfonylamino]methyl]propyl]guanidine Formula: C14H18ClN5O2S MolecularWeight: 355.84302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2Cl)N=C(N)N

Isomeric SMILES

CCC(CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2Cl)N=C(N)N

InChI

InChI=1S/C14H18ClN5O2S/c1-2-9(20-14(16)17)8-19-23(21,22)12-5-3-4-11-10(12)6-7-18-13(11)15/h3-7,9,19H,2,8H2,1H3,(H4,16,17,20)