3-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]benzoic acid Openeye Name: 3-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]benzoic acid CAS Name: 3-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]benzoic acid Traditional Name: 3-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]benzoic acid Formula: C17H14ClN5O4S MolecularWeight: 419.84216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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