(3R)-N-(4-tert-butylphenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(4-tert-butylphenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-tert-butylphenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-tert-butylphenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-tert-butylphenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-tert-butylphenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27FN2O3S MolecularWeight: 466.567583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H27FN2O3S/c1-26(2,3)20-12-14-21(15-13-20)28-25(30)23-16-18-8-4-5-9-19(18)17-29(23)33(31,32)24-11-7-6-10-22(24)27/h4-15,23H,16-17H2,1-3H3,(H,28,30)/t23-/m1/s1