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

Systemtic Name: methyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]propanoate Openeye Name: methyl 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]propanoate CAS Name: 2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]propanoate Traditional Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]propionic acid methyl ester Formula: C14H16ClN5O4S MolecularWeight: 385.82594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5O4S/c1-7(13(21)24-2)20-25(22,23)8-3-4-9-10(5-8)12(19-14(16)17)18-6-11(9)15/h3-7,20H,1-2H3,(H4,16,17,18,19)