2-[[1-[bis(azanyl)methylideneamino]-3-chloranyl-isoquinolin-7-yl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-3-chloranyl-isoquinolin-7-yl]sulfonylamino]ethanoic acid Openeye Name: 2-[(3-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]acetic acid CAS Name: 2-[[3-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]acetic acid IUPAC Name: 2-[[3-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]acetic acid Traditional Name: 2-[(3-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]acetic acid Formula: C12H12ClN5O4S MolecularWeight: 357.77278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(N=C(C=C21)Cl)N=C(N)N)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC2=C(N=C(C=C21)Cl)N=C(N)N)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C12H12ClN5O4S/c13-9-3-6-1-2-7(23(21,22)16-5-10(19)20)4-8(6)11(17-9)18-12(14)15/h1-4,16H,5H2,(H,19,20)(H4,14,15,17,18)