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

Systemtic Name: methyl 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylate CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylate Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylic acid methyl ester Formula: C18H22ClN5O4S MolecularWeight: 439.91638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

COC(=O)C1(CCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C18H22ClN5O4S/c1-28-16(25)18(7-3-2-4-8-18)24-29(26,27)11-5-6-12-13(9-11)15(23-17(20)21)22-10-14(12)19/h5-6,9-10,24H,2-4,7-8H2,1H3,(H4,20,21,22,23)