[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino] 2-azanyl-3,3-dimethyl-butanoate

Systemtic Name: [[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino] 2-azanyl-3,3-dimethyl-butanoate Openeye Name: [(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino] 2-amino-3,3-dimethyl-butanoate CAS Name: 2-amino-3,3-dimethylbutanoic acid [[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino] ester IUPAC Name: [[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino] 2-amino-3,3-dimethylbutanoate Traditional Name: 2-amino-3,3-dimethyl-butyric acid [(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino] ester Formula: C16H21ClN6O4S MolecularWeight: 428.89374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)ONS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl)N

Isomeric SMILES

CC(C)(C)C(C(=O)ONS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl)N

InChI

InChI=1S/C16H21ClN6O4S/c1-16(2,3)12(18)14(24)27-23-28(25,26)8-4-5-9-10(6-8)13(22-15(19)20)21-7-11(9)17/h4-7,12,23H,18H2,1-3H3,(H4,19,20,21,22)