1-[1-[bis(azanyl)methylideneamino]-4-bromanyl-isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[bis(azanyl)methylideneamino]-4-bromanyl-isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-bromo-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-bromo-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-bromo-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-bromo-1-guanidino-7-isoquinolyl)sulfonyl]proline Formula: C15H16BrN5O4S MolecularWeight: 442.28764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Br)C(=O)O

InChI

InChI=1S/C15H16BrN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)