1-azanyl-2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-cyclopentane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-cyclopentane-1-carboxylic acid Openeye Name: 1-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]cyclopentanecarboxylic acid CAS Name: 1-amino-2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-amino-2-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylcyclopentane-1-carboxylic acid Traditional Name: 1-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]cyclopentanecarboxylic acid Formula: C16H18ClN5O4S MolecularWeight: 411.86322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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