tert-butyl (3R)-4-[4-(4-fluoranylphenoxy)isoquinolin-5-yl]sulfonyl-3-methyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl (3R)-4-[4-(4-fluoranylphenoxy)isoquinolin-5-yl]sulfonyl-3-methyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl (3R)-4-[[4-(4-fluorophenoxy)-5-isoquinolyl]sulfonyl]-3-methyl-1,4-diazepane-1-carboxylate CAS Name: (3R)-4-[[4-(4-fluorophenoxy)-5-isoquinolinyl]sulfonyl]-3-methyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-4-[4-(4-fluorophenoxy)isoquinolin-5-yl]sulfonyl-3-methyl-1,4-diazepane-1-carboxylate Traditional Name: (3R)-4-[[4-(4-fluorophenoxy)-5-isoquinolyl]sulfonyl]-3-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:

CC1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=C(C=C4)F)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=C(C=C4)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H30FN3O5S/c1-18-17-29(25(31)35-26(2,3)4)13-6-14-30(18)36(32,33)23-8-5-7-19-15-28-16-22(24(19)23)34-21-11-9-20(27)10-12-21/h5,7-12,15-16,18H,6,13-14,17H2,1-4H3/t18-/m1/s1