tert-butyl 4-[4-(4-fluoranylphenoxy)isoquinolin-5-yl]sulfonyl-7-methyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-fluoranylphenoxy)isoquinolin-5-yl]sulfonyl-7-methyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[[4-(4-fluorophenoxy)-5-isoquinolyl]sulfonyl]-7-methyl-1,4-diazepane-1-carboxylate CAS Name: 4-[[4-(4-fluorophenoxy)-5-isoquinolinyl]sulfonyl]-7-methyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-fluorophenoxy)isoquinolin-5-yl]sulfonyl-7-methyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[[4-(4-fluorophenoxy)-5-isoquinolyl]sulfonyl]-7-methyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C26H30FN3O5S MolecularWeight: 515.596903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=C(C=C4)F

Isomeric SMILES

CC1CCN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=C(C=C4)F

InChI

InChI=1S/C26H30FN3O5S/c1-18-12-13-29(14-15-30(18)25(31)35-26(2,3)4)36(32,33)23-7-5-6-19-16-28-17-22(24(19)23)34-21-10-8-20(27)9-11-21/h5-11,16-18H,12-15H2,1-4H3