N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethyl-butanamide

Systemtic Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethyl-butanamide Openeye Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethyl-butanamide CAS Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethylbutanamide IUPAC Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethylbutanamide Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethyl-butyramide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C=C1

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C=C1

InChI

InChI=1S/C21H25FN2O3S/c1-21(2,3)13-20(25)23-18-7-4-15-10-11-24(14-16(15)12-18)28(26,27)19-8-5-17(22)6-9-19/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,25)