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

Systemtic Name: ethyl 4-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylate CAS Name: 4-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylate Traditional Name: 4-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylic acid ethyl ester Formula: C19H24ClN5O4S MolecularWeight: 453.94296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CCOC(=O)C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C19H24ClN5O4S/c1-2-29-18(26)11-3-5-12(6-4-11)25-30(27,28)13-7-8-14-15(9-13)17(24-19(21)22)23-10-16(14)20/h7-12,25H,2-6H2,1H3,(H4,21,22,23,24)