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

Systemtic Name: 1-[1-[bis(azanyl)methylideneamino]isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate Openeye Name: 1-[(1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-2-pyrrolidinecarboxylate IUPAC Name: 1-[1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylate Formula: C15H16N5O4S- MolecularWeight: 362.38364

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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)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4S/c16-15(17)19-13-11-8-10(4-3-9(11)5-6-18-13)25(23,24)20-7-1-2-12(20)14(21)22/h3-6,8,12H,1-2,7H2,(H,21,22)(H4,16,17,18,19)/p-1