1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]cyclobutane-1-carboxylic acid

Systemtic Name: 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]cyclobutane-1-carboxylic acid Openeye Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclobutanecarboxylic acid CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]cyclobutane-1-carboxylic acid Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclobutanecarboxylic acid Formula: C15H16ClN5O4S MolecularWeight: 397.83664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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