2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylamino]-3-methoxy-propanoic acid

Systemtic Name: 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylamino]-3-methoxy-propanoic acid Openeye Name: 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonylamino]-3-methoxy-propanoic acid CAS Name: 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonylamino]-3-methoxypropanoic acid IUPAC Name: 2-[[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonylamino]-3-methoxypropanoic acid Traditional Name: 2-[[4-[amidino(chloro)amino]-7-isoquinolyl]sulfonylamino]-3-methoxy-propionic acid Formula: C14H16ClN5O5S MolecularWeight: 401.82534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5O5S/c1-25-7-11(13(21)22)19-26(23,24)9-2-3-10-8(4-9)5-18-6-12(10)20(15)14(16)17/h2-6,11,19H,7H2,1H3,(H3,16,17)(H,21,22)