1-azanyl-2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-cyclobutane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-cyclobutane-1-carboxylic acid Openeye Name: 1-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]cyclobutanecarboxylic acid CAS Name: 1-amino-2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-amino-2-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylcyclobutane-1-carboxylic acid Traditional Name: 1-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]cyclobutanecarboxylic acid Formula: C15H16ClN5O4S MolecularWeight: 397.83664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)(C(=O)O)N

Isomeric SMILES

C1CC(C1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)(C(=O)O)N

InChI

InChI=1S/C15H16ClN5O4S/c16-10-6-20-12(21-14(17)18)9-5-7(1-2-8(9)10)26(24,25)11-3-4-15(11,19)13(22)23/h1-2,5-6,11H,3-4,19H2,(H,22,23)(H4,17,18,20,21)