ethyl 4-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid ethyl ester Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O5S/c1-2-33-25(30)17-7-11-21(12-8-17)27-24(29)23-15-18-5-3-4-6-19(18)16-28(23)34(31,32)22-13-9-20(26)10-14-22/h3-14,23H,2,15-16H2,1H3,(H,27,29)