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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O3S/c1-10(9-19-15(16)17)5-8-20-24(22,23)13-4-2-3-12-11(13)6-7-18-14(12)21/h2-4,6-7,10,20H,5,8-9H2,1H3,(H,18,21)(H4,16,17,19)