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

Systemtic Name: 1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylazetidine-3-carboxylic acid Openeye Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylazetidine-3-carboxylic acid Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]azetidine-3-carboxylic acid Formula: C14H14ClN5O4S MolecularWeight: 383.81006

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)C(=O)O

Isomeric SMILES

C1C(CN1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)C(=O)O

InChI

InChI=1S/C14H14ClN5O4S/c15-11-4-18-12(19-14(16)17)10-3-8(1-2-9(10)11)25(23,24)20-5-7(6-20)13(21)22/h1-4,7H,5-6H2,(H,21,22)(H4,16,17,18,19)