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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3S/c1-3-15(4-2)21(25)23-19-8-5-16-11-12-24(14-17(16)13-19)28(26,27)20-9-6-18(22)7-10-20/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,25)