2-[[1-[bis(azanyl)methylideneamino]isoquinolin-7-yl]sulfonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]isoquinolin-7-yl]sulfonylamino]-2-methyl-propanoic acid Openeye Name: 2-[(1-guanidino-7-isoquinolyl)sulfonylamino]-2-methyl-propanoic acid CAS Name: 2-[[1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-2-methylpropanoic acid IUPAC Name: 2-[[1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanoic acid Traditional Name: 2-[(1-guanidino-7-isoquinolyl)sulfonylamino]-2-methyl-propionic acid Formula: C14H17N5O4S MolecularWeight: 351.38088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C=CN=C2N=C(N)N

Isomeric SMILES

CC(C)(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C=CN=C2N=C(N)N

InChI

InChI=1S/C14H17N5O4S/c1-14(2,12(20)21)19-24(22,23)9-4-3-8-5-6-17-11(10(8)7-9)18-13(15)16/h3-7,19H,1-2H3,(H,20,21)(H4,15,16,17,18)