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

Systemtic Name: tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonylamino]ethanoate Openeye Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonylamino]acetate CAS Name: 2-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonylamino]acetate Traditional Name: 2-[[4-[amidino(chloro)amino]-7-isoquinolyl]sulfonylamino]acetic acid tert-butyl ester Formula: C16H20ClN5O4S MolecularWeight: 413.8791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5O4S/c1-16(2,3)26-14(23)9-21-27(24,25)11-4-5-12-10(6-11)7-20-8-13(12)22(17)15(18)19/h4-8,21H,9H2,1-3H3,(H3,18,19)