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

Systemtic Name: ethyl 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]cyclobutane-1-carboxylate Openeye Name: ethyl 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclobutanecarboxylate CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-1-cyclobutanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]cyclobutane-1-carboxylate Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]cyclobutanecarboxylic acid ethyl ester Formula: C17H20ClN5O4S MolecularWeight: 425.8898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CCOC(=O)C1(CCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C17H20ClN5O4S/c1-2-27-15(24)17(6-3-7-17)23-28(25,26)10-4-5-11-12(8-10)14(22-16(19)20)21-9-13(11)18/h4-5,8-9,23H,2-3,6-7H2,1H3,(H4,19,20,21,22)