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

Systemtic Name: azanyl 3-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-2,2-dimethyl-propanoate Openeye Name: amino 3-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]-2,2-dimethyl-propanoate CAS Name: 3-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-2,2-dimethylpropanoic acid amino ester IUPAC Name: amino 3-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonyl-2,2-dimethylpropanoate Traditional Name: 3-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]-2,2-dimethyl-propionic acid amino ester Formula: C15H18ClN5O4S MolecularWeight: 399.85252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN5O4S/c1-15(2,13(22)25-19)7-26(23,24)8-3-4-9-10(5-8)12(21-14(17)18)20-6-11(9)16/h3-6H,7,19H2,1-2H3,(H4,17,18,20,21)