2-[2-methyl-4-[(1-oxidanylidene-2H-isoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine

Systemtic Name: 2-[2-methyl-4-[(1-oxidanylidene-2H-isoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine Openeye Name: 2-[1,1-dimethyl-3-[(1-oxo-2H-isoquinolin-5-yl)sulfonylamino]propyl]guanidine CAS Name: 2-[2-methyl-4-[(1-oxo-2H-isoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine IUPAC Name: 2-[2-methyl-4-[(1-oxo-2H-isoquinolin-5-yl)sulfonylamino]butan-2-yl]guanidine Traditional Name: 2-[3-[(1-keto-2H-isoquinolin-5-yl)sulfonylamino]-1,1-dimethyl-propyl]guanidine Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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