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

Systemtic Name: tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylamino]propanoate Openeye Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonylamino]propanoate CAS Name: 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonylamino]propanoate Traditional Name: 2-[[4-[amidino(chloro)amino]-7-isoquinolyl]sulfonylamino]propionic acid tert-butyl ester Formula: C17H22ClN5O4S MolecularWeight: 427.90568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN5O4S/c1-10(15(24)27-17(2,3)4)22-28(25,26)12-5-6-13-11(7-12)8-21-9-14(13)23(18)16(19)20/h5-10,22H,1-4H3,(H3,19,20)