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

Systemtic Name: 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclopentanecarboxylic acid CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]cyclopentane-1-carboxylic acid Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclopentanecarboxylic acid Formula: C16H18ClN5O4S MolecularWeight: 411.86322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O4S/c17-12-8-20-13(21-15(18)19)11-7-9(3-4-10(11)12)27(25,26)22-16(14(23)24)5-1-2-6-16/h3-4,7-8,22H,1-2,5-6H2,(H,23,24)(H4,18,19,20,21)