1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: 1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate Openeye Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-2-pyrrolidinecarboxylate IUPAC Name: 1-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylate Formula: C15H15ClN5O4S- MolecularWeight: 396.8287

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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)Cl)C(=O)[O-]

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)C(=O)[O-]

InChI

InChI=1S/C15H16ClN5O4S/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)/p-1