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

Systemtic Name: [1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl 1-azanylcyclohexane-1-carboxylate Openeye Name: (4-chloro-1-guanidino-7-isoquinolyl)sulfonyl 1-aminocyclohexanecarboxylate CAS Name: 1-amino-1-cyclohexanecarboxylic acid [4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl ester IUPAC Name: [4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonyl 1-aminocyclohexane-1-carboxylate Traditional Name: 1-aminocyclohexanecarboxylic acid (4-chloro-1-guanidino-7-isoquinolyl)sulfonyl ester Formula: C17H20ClN5O4S MolecularWeight: 425.8898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O4S/c18-13-9-22-14(23-16(19)20)12-8-10(4-5-11(12)13)28(25,26)27-15(24)17(21)6-2-1-3-7-17/h4-5,8-9H,1-3,6-7,21H2,(H4,19,20,22,23)