[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl 1-azanylcyclobutane-1-carboxylate

Systemtic Name: [1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl 1-azanylcyclobutane-1-carboxylate Openeye Name: (4-chloro-1-guanidino-7-isoquinolyl)sulfonyl 1-aminocyclobutanecarboxylate CAS Name: 1-amino-1-cyclobutanecarboxylic acid [4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl ester IUPAC Name: [4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonyl 1-aminocyclobutane-1-carboxylate Traditional Name: 1-aminocyclobutanecarboxylic acid (4-chloro-1-guanidino-7-isoquinolyl)sulfonyl ester Formula: C15H16ClN5O4S MolecularWeight: 397.83664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C(=O)OS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)N

Isomeric SMILES

C1CC(C1)(C(=O)OS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)N

InChI

InChI=1S/C15H16ClN5O4S/c16-11-7-20-12(21-14(17)18)10-6-8(2-3-9(10)11)26(23,24)25-13(22)15(19)4-1-5-15/h2-3,6-7H,1,4-5,19H2,(H4,17,18,20,21)