2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-2-methyl-propanamide

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-2-methyl-propanamide Openeye Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-2-methyl-propanamide CAS Name: 2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-2-methylpropanamide IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanamide Traditional Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-2-methyl-propionamide Formula: C14H17ClN6O3S MolecularWeight: 384.84118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN6O3S/c1-14(2,12(16)22)21-25(23,24)7-3-4-8-9(5-7)11(20-13(17)18)19-6-10(8)15/h3-6,21H,1-2H3,(H2,16,22)(H4,17,18,19,20)