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

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]benzoic acid Openeye Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]benzoic acid CAS Name: 2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]benzoic acid Traditional Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]benzoic acid Formula: C17H14ClN5O4S MolecularWeight: 419.84216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C17H14ClN5O4S/c18-13-8-21-15(22-17(19)20)12-7-9(5-6-10(12)13)28(26,27)23-14-4-2-1-3-11(14)16(24)25/h1-8,23H,(H,24,25)(H4,19,20,21,22)