2-[1-(isoquinolin-5-ylsulfonylamino)butyl]-1,1-dimethyl-guanidine

Systemtic Name: 2-[1-(isoquinolin-5-ylsulfonylamino)butyl]-1,1-dimethyl-guanidine Openeye Name: 2-[1-(5-isoquinolylsulfonylamino)butyl]-1,1-dimethyl-guanidine CAS Name: 2-[1-(5-isoquinolinylsulfonylamino)butyl]-1,1-dimethylguanidine IUPAC Name: 2-[1-(isoquinolin-5-ylsulfonylamino)butyl]-1,1-dimethylguanidine Traditional Name: 2-[1-(5-isoquinolylsulfonylamino)butyl]-1,1-dimethyl-guanidine Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N=C(N)N(C)C

Isomeric SMILES

CCCC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)/N=C(\N)/N(C)C

InChI

InChI=1S/C16H23N5O2S/c1-4-6-15(19-16(17)21(2)3)20-24(22,23)14-8-5-7-12-11-18-10-9-13(12)14/h5,7-11,15,20H,4,6H2,1-3H3,(H2,17,19)