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

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]ethanoic acid Openeye Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]acetic acid CAS Name: 2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]acetic acid Traditional Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]acetic acid Formula: C12H12ClN5O4S MolecularWeight: 357.77278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)NCC(=O)O)C(=NC=C2Cl)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)NCC(=O)O)C(=NC=C2Cl)N=C(N)N

InChI

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