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

Systemtic Name: methyl 4-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]oxane-4-carboxylate Openeye Name: methyl 4-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]oxane-4-carboxylate Traditional Name: 4-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]tetrahydropyran-4-carboxylic acid methyl ester Formula: C17H20ClN5O5S MolecularWeight: 441.8892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCOCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

COC(=O)C1(CCOCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C17H20ClN5O5S/c1-27-15(24)17(4-6-28-7-5-17)23-29(25,26)10-2-3-11-12(8-10)14(22-16(19)20)21-9-13(11)18/h2-3,8-9,23H,4-7H2,1H3,(H4,19,20,21,22)