methyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-2-methyl-propanoate CAS Name: 2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-2-methylpropanoate Traditional Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-2-methyl-propionic acid methyl ester Formula: C15H18ClN5O4S MolecularWeight: 399.85252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN5O4S/c1-15(2,13(22)25-3)21-26(23,24)8-4-5-9-10(6-8)12(20-14(17)18)19-7-11(9)16/h4-7,21H,1-3H3,(H4,17,18,19,20)