2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonyl-methyl-amino]acetic acid CAS Name: 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonyl-methylamino]acetic acid IUPAC Name: 2-[[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonyl-methylamino]acetic acid Traditional Name: 2-[[4-[amidino(chloro)amino]-7-isoquinolyl]sulfonyl-methyl-amino]acetic acid Formula: C13H14ClN5O4S MolecularWeight: 371.79936

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)C1=CC2=CN=CC(=C2C=C1)N(C(=N)N)Cl

Isomeric SMILES

CN(CC(=O)O)S(=O)(=O)C1=CC2=CN=CC(=C2C=C1)N(C(=N)N)Cl

InChI

InChI=1S/C13H14ClN5O4S/c1-18(7-12(20)21)24(22,23)9-2-3-10-8(4-9)5-17-6-11(10)19(14)13(15)16/h2-6H,7H2,1H3,(H3,15,16)(H,20,21)