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

Systemtic Name: [1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl 1-azanylcyclopentane-1-carboxylate Openeye Name: (4-chloro-1-guanidino-7-isoquinolyl)sulfonyl 1-aminocyclopentanecarboxylate CAS Name: 1-amino-1-cyclopentanecarboxylic acid [4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl ester IUPAC Name: [4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonyl 1-aminocyclopentane-1-carboxylate Traditional Name: 1-aminocyclopentanecarboxylic acid (4-chloro-1-guanidino-7-isoquinolyl)sulfonyl ester Formula: C16H18ClN5O4S MolecularWeight: 411.86322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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