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

Systemtic Name: 4-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]oxane-4-carboxylic acid Openeye Name: 4-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]oxane-4-carboxylic acid Traditional Name: 4-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]tetrahydropyran-4-carboxylic acid Formula: C16H18ClN5O5S MolecularWeight: 427.86262

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1COCCC1(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C16H18ClN5O5S/c17-12-8-20-13(21-15(18)19)11-7-9(1-2-10(11)12)28(25,26)22-16(14(23)24)3-5-27-6-4-16/h1-2,7-8,22H,3-6H2,(H,23,24)(H4,18,19,20,21)