(phenylmethyl) 4-(4-fluoranylisoquinolin-5-yl)sulfonyl-5-methyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-fluoranylisoquinolin-5-yl)sulfonyl-5-methyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(4-fluoro-5-isoquinolyl)sulfonyl]-5-methyl-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-fluoro-5-isoquinolinyl)sulfonyl]-5-methyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-fluoroisoquinolin-5-yl)sulfonyl-5-methyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[(4-fluoro-5-isoquinolyl)sulfonyl]-5-methyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C23H24FN3O4S MolecularWeight: 457.517763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H24FN3O4S/c1-17-10-11-26(23(28)31-16-18-6-3-2-4-7-18)12-13-27(17)32(29,30)21-9-5-8-19-14-25-15-20(24)22(19)21/h2-9,14-15,17H,10-13,16H2,1H3