methyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylamino]propanoate

Systemtic Name: methyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylamino]propanoate Openeye Name: methyl 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonylamino]propanoate CAS Name: 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonylamino]propanoate Traditional Name: 2-[[4-[amidino(chloro)amino]-7-isoquinolyl]sulfonylamino]propionic acid methyl ester Formula: C14H16ClN5O4S MolecularWeight: 385.82594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5O4S/c1-8(13(21)24-2)19-25(22,23)10-3-4-11-9(5-10)6-18-7-12(11)20(15)14(16)17/h3-8,19H,1-2H3,(H3,16,17)