4-fluoranyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 4-fluoranyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-one CAS Name: 4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-one Traditional Name: 2-benzyl-4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isocarbostyril Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4=CC=CC=C4)F

Isomeric SMILES

C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4=CC=CC=C4)F

InChI

InChI=1S/C22H24FN3O3S/c1-16-13-24-11-6-12-26(16)30(28,29)20-10-5-9-18-21(20)19(23)15-25(22(18)27)14-17-7-3-2-4-8-17/h2-5,7-10,15-16,24H,6,11-14H2,1H3/t16-/m0/s1