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

Systemtic Name: [[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino] 1-methylpiperidine-4-carboxylate Openeye Name: [(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino] 1-methylpiperidine-4-carboxylate CAS Name: 1-methyl-4-piperidinecarboxylic acid [[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino] ester IUPAC Name: [[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino] 1-methylpiperidine-4-carboxylate Traditional Name: 1-methylisonipecotic acid [(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino] ester Formula: C17H21ClN6O4S MolecularWeight: 440.90444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)ONS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CN1CCC(CC1)C(=O)ONS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C17H21ClN6O4S/c1-24-6-4-10(5-7-24)16(25)28-23-29(26,27)11-2-3-12-13(8-11)15(22-17(19)20)21-9-14(12)18/h2-3,8-10,23H,4-7H2,1H3,(H4,19,20,21,22)