1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]cyclopentane-1-carboxamide

Systemtic Name: 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]cyclopentane-1-carboxamide Openeye Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclopentanecarboxamide CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-1-cyclopentanecarboxamide IUPAC Name: 1-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]cyclopentane-1-carboxamide Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclopentanecarboxamide Formula: C16H19ClN6O3S MolecularWeight: 410.87846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1CCC(C1)(C(=O)N)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C16H19ClN6O3S/c17-12-8-21-13(22-15(19)20)11-7-9(3-4-10(11)12)27(25,26)23-16(14(18)24)5-1-2-6-16/h3-4,7-8,23H,1-2,5-6H2,(H2,18,24)(H4,19,20,21,22)