2-[3-methyl-1-[(1-oxidanylidene-2H-isoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine

Systemtic Name: 2-[3-methyl-1-[(1-oxidanylidene-2H-isoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine Openeye Name: 2-[2-methyl-1-[[(1-oxo-2H-isoquinolin-5-yl)sulfonylamino]methyl]propyl]guanidine CAS Name: 2-[3-methyl-1-[(1-oxo-2H-isoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine IUPAC Name: 2-[3-methyl-1-[(1-oxo-2H-isoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine Traditional Name: 2-[1-[[(1-keto-2H-isoquinolin-5-yl)sulfonylamino]methyl]-2-methyl-propyl]guanidine Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O)N=C(N)N

Isomeric SMILES

CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O)N=C(N)N

InChI

InChI=1S/C15H21N5O3S/c1-9(2)12(20-15(16)17)8-19-24(22,23)13-5-3-4-11-10(13)6-7-18-14(11)21/h3-7,9,12,19H,8H2,1-2H3,(H,18,21)(H4,16,17,20)