1-[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-[amidino(chloro)amino]-7-isoquinolyl]sulfonyl]proline Formula: C15H16ClN5O4S MolecularWeight: 397.83664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl)C(=O)O

InChI

InChI=1S/C15H16ClN5O4S/c16-21(15(17)18)13-8-19-7-9-6-10(3-4-11(9)13)26(24,25)20-5-1-2-12(20)14(22)23/h3-4,6-8,12H,1-2,5H2,(H3,17,18)(H,22,23)