tert-butyl 1-[4-[bromanyl(carbamimidoyl)amino]isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[4-[bromanyl(carbamimidoyl)amino]isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[[4-[bromo(carbamimidoyl)amino]-7-isoquinolyl]sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[4-[bromo(carbamimidoyl)amino]-7-isoquinolinyl]sulfonyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[bromo(carbamimidoyl)amino]isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[[4-[amidino(bromo)amino]-7-isoquinolyl]sulfonyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C19H24BrN5O4S MolecularWeight: 498.39396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1S(=O)(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1S(=O)(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Br

InChI

InChI=1S/C19H24BrN5O4S/c1-19(2,3)29-17(26)15-5-4-8-24(15)30(27,28)13-6-7-14-12(9-13)10-23-11-16(14)25(20)18(21)22/h6-7,9-11,15H,4-5,8H2,1-3H3,(H3,21,22)