azepan-1-yl-[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azepan-1-yl-[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN2O3S/c23-19-9-11-20(12-10-19)29(27,28)25-16-18-8-4-3-7-17(18)15-21(25)22(26)24-13-5-1-2-6-14-24/h3-4,7-12,21H,1-2,5-6,13-16H2/t21-/m1/s1