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

Systemtic Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzamide Openeye Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzamide CAS Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzamide IUPAC Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzamide Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)F)C=C2

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)F)C=C2

InChI

InChI=1S/C25H25FN2O3S/c1-2-3-18-4-6-20(7-5-18)25(29)27-23-11-8-19-14-15-28(17-21(19)16-23)32(30,31)24-12-9-22(26)10-13-24/h4-13,16H,2-3,14-15,17H2,1H3,(H,27,29)